Included are publications by the contributors to the AMOS Gateway and any additional publications that are useful in understanding the underlying methods.
O. Zatsarinny, BSR: B-Spline Atomic R-Matrix Codes, Computer Physics Communications 174, 273–356 (2006).
O. Zatsarinny and K. Bartschat, The B-spline R-matrix method for atomic processes: application to atomic structure, electron collisions and photoionization, Journal of Physics B: Atomic, Molecular and Optical Physics 46, 112001 (2013).
J. Feist, O. Zatsarinny, S. Nagele, R. Pazourek, J. Burgdörfer, X. Guan, K. Bartschat, and B. I. Schneider, Time delays for attosecond streaking in photoionization of neon, Phys. Rev. A 89, 033417 (2014).
Bray, I. B. Abdurakhmanov, J. J. Bailey, A. W. Bray, D. V. Fursa, A. S. Kadyrov, C. M. Rawlins, J. S. Savage, A. T. Stelbovics, and M. C. Zammit, Convergent close-coupling approach to light and heavy projectile scattering on atomic and molecular hydrogen, J. Phys. B: At. Mol. Opt. Phys. 50, 202001 (2017).
C. J. Bostock, D. V. Fursa, and I. Bray, Relativistic convergent close-coupling method: Calculation of electron scattering from hydrogenlike ions, Phys. Rev. A 80, 052708 (2009).
B. H. Lengsfield and T. N. Rescigno, Electron-molecule close coupling with correlated target wave functions: Application to impact dissociation of F2, Phys. Rev. A 44, 2913–2920 (1991).
I. Bray, D. V. Fursa, A. S. Kheifets, and A. T. Stelbovics, Electrons and photons colliding with atoms: development and application of the convergent close-coupling method, J. Phys. B: At. Mol. Opt. Phys. 35, R117–R146 (2002).
T. Meltzer, J. Tennyson, Z. Măśın, M. C. Zammit, L. H. Scarlett, D. V. Fursa, and I. Bray, Benchmark calculations of electron impact electronic excitation of the hydrogen molecule, Journal of Physics B: Atomic, Molecular and Optical Physics, Volume 53, Number 14.
M. C. Zammit, D. V. Fursa, and I. Bray, Electron scattering from the molecular hydrogen ion and its isotopologues, Phys. Rev. A 90, 022711 (2014).
M. C. Zammit, D. V. Fursa, J. S. Savage, and I. Bray, Electron– and positron–molecule scattering: development of the molecular convergent close-coupling method, J. Phys. B: At. Mol. Opt. Phys. 50, 123001 (2017).
I. B. Abdurakhmanov, A. S. Kadyrov, S. K. Avazbaev, and I. Bray, Solution of the proton-hydrogen scattering problem using a quantum-mechanical two-center convergent close-coupling method, J. Phys. B: At. Mol. Opt. Phys. 49, 115203 (2016).
J. Jose, R. R. Lucchese, and T. N. Rescigno, Interchannel coupling effects in the valence photoionization of SF6, The Journal of Chemical Physics 140, 204305 (2014).
R. R. Lucchese, N. Sanna, A. P. P. Natalense, and F. A. Gianturco, ePolyScat, (2012).
F. A. Gianturco, R. R. Lucchese, and N. Sanna, Calculation of low-energy elastic cross sections for electron-CF4 scattering, The Journal of Chemical Physics 100, 6464–6471 (1994).
A. P. P. Natalense and R. R. Lucchese, Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6, The Journal of Chemical Physics 111, 5344–5348 (1999).
C. Froese Fischer, M. Godefroid, T. Brage, P. Jönsson, G. Gaiagalas, Advanced Multiconfiguration methods for compex atoms: I. Energies and wave functions. J. Phys. B: At. Mol. Opt. Phys. 49 182004 (2016).
P. Jönsson, X.He, C.Froese Fischer, I.P. Grant, The grasp2K relativistic atomic structure package, CPC, 177, 597-622 (2007).
P. Jönsson, G.Gaigalas, J.Bieroń, C. Froese Fischer, I.P. Grant, GRASP-2013: New version of GRASP2K, CPC, 184, 2197-2203 (2013).
C. Froese Fischer, P. Jönsson, G. Gaiagalas, J. Bieroń , GRASP-2018: F95 Version code, CPC, 237, 184-187 (2019).
A. Stathopoulos and C. Froese Fischer, A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix, CPC, 79, 268-290, (1994).
G. Gaigalas, Z.B. Rudzikas, C. Froese Fischer, An efficient approach for spin - angular integrations in atomic structure calculations, J. Phys. B: At. Mol. Phys. 30, 3747 (1997).
G. Gaigalas, S. Fritzsche, I.P. Grant, Program to calculate pure angular momentum coefficients in jj–coupling , CPC, 139, 263 (2001).
Rulin Tang, Ran Si, Zejie Fei, Xiaoxi Fu, Yuzhu Lu, Tomas Brage, Hongtao Liu, Chongyang Chen, and Chuangang Ning, Candidate for Laser Cooling of a Negative Ion: High-Resolution Photoelectron Imaging of Th−. Phys. Rev. Lett. 123, 203002 (2019).
R. Si, X. L. Guo, T. Brage, C. Y. Chen*, R. Hutton, and C. Froese Fischer, Critical evaluation of Breit and QED effects on the 3d⁹ ²D₃/₂ − ²D₅/₂ transition energy in Co-like ions, Phys. Rev. A 98, 012504 (2018).
Kai Wang, Zhan Bin Chen, Chun Yu Zhang, Ran Si, Per Jönsson, Henrik Hartman, Ming feng Gu, Chong Yang Chen, and Jun Yan, Benchmarking Atomic Data for Astrophysics: Be-like Ions between B II and Ne VII, Astrophy. J. Supp. Ser. 234, 40 (2018).
Wenxian Li, AM Amarsi, Asimina Papoulia, Jörgen Ekman, Per Jönsson, Extended theoretical transition data in C I–IV, Mon. Not. Royal Astron. Soc., 502, 3780–3799 (2021).
Fatima Zahra Boualili, Messaoud Nemouchi, Michel Godefroid, Per Jönsson Weak Correlation and Strong Relativistic Effects on the Hyperfine Interaction in Fluorine arXiv preprint arXiv:2108.01116.
C. W. McCurdy, T. N. Rescigno, and B. I. Schneider, Interrelation between variational principles for scattering amplitudes and generalized R-matrix theory, Phys. Rev. A 36, 2061–2066 (1987).
T. N. Rescigno and B. I. Schneider, Disappearance of continuum exchange integrals from algebraic variational calculations of electron scattering, Phys. Rev. A 37, 1044–1046 (1988).
B. I. Schneider and T. N. Rescigno, Complex Kohn variational method: Application to low-energy electron- molecule collisions, Phys. Rev. A 37, 3749–3754 (1988).
T. N. Rescigno and A. E. Orel, Continuum basis functions in the complex Kohn variational method, Phys. Rev. A 43, 1625–1628 (1991).
T. N. Rescigno, B. H. Lengsfield, C. W. McCurdy, and S. D. Parker, Ab initio description of polarization in low-energy electron collisions with polar molecules: Application to electron-NH3 scattering, Phys. Rev. A 45, 7800–7809 (1992).
T. N. Rescigno, B. H. Lengsfield, and C. W. McCurdy, The Incorporation of Modern Electronic Structure Methods in Electron–Molecule Collision Problems: Variational Calculations Using the Complex Kohn Method Modern Electronic Structure Theory 1 (World Scientific, Singapore, 1995).
T. N. Rescigno, C. W. McCurdy, A. E. Orel, and B. H. Lengsfield, Computational Method for Electron-Molecule Collisions (Plenum Press, New York, 1995).
T. N. Rescigno, B. H. Lengsfield, and A. E. Orel, Interchannel coupling and ground state correlation effects in the photoionization of CO, The Journal of Chemical Physics 99, 5097–5103 (1993).
T. N. Rescigno and B. I. Schneider, Electron-impact excitation of the T and V states of ethylene: An ab initio study, Phys. Rev. A 45, 2894–2902 (1992).
T. J. Gil, C. W. McCurdy, T. N. Rescigno, and B. H. Lengsfield, Polarization and correlation effects in elastic electron-Li2 scattering, Phys. Rev. A 47, 255–263 (1993).
B. I. Schneider, T. N. Rescigno, and C. W. McCurdy, Resonant vibrational excitation of H2CO by low-energy electron impact, Phys. Rev. A 42, 3132–3134 (1990).
T. N. Rescigno, W. A. Isaacs, A. E. Orel, H.-D. Meyer, and C. W. McCurdy, Theoretical study of resonant vibrational excitation of CO2 by electron impact, Phys. Rev. A 65, 032716 (2002).
D. J. Haxton, C. W. McCurdy, and T. N. Rescigno, Angular dependence of dissociative electron attachment to polyatomic molecules: Application to the 2B1 metastable state of the H2O and H2S anions, Phys. Rev. A 73, 062724 (2006).
N. Douguet, D. S. Slaughter, H. Adaniya, A. Belkacem, A. E. Orel, and T. N. Rescigno, Signatures of bond formation and bond scission dynamics in dissociative electron attachment to methane, Phys. Chem. Chem. Phys. 17, 25621–25628 (2015).
D. S. Slaughter, A. Belkacem, C. W. McCurdy, T. N. Rescigno, and D. J. Haxton, Ion-momentum imaging of dissociative attachment of electrons to molecules, J. Phys. B: At. Mol. Opt. Phys. 49, 222001 (2016).
T. N. Rescigno, C. S. Trevisan, A. E. Orel, D. S. Slaughter, H. Adaniya, A. Belkacem, M. Weyland, A. Dorn, and C. W. McCurdy, Dynamics of dissociative electron attachment to ammonia, Phys. Rev. A 93, 052704 (2016).
M. Fogle, D. J. Haxton, A. L. Landers, A. E. Orel, and T. N. Rescigno, Ion-momentum imaging of dissociative- electron-attachment dynamics in acetylene, Phys. Rev. A 90, 042712 (2014).
C.-Y. Lin, C. W. McCurdy, and T. N. Rescigno, Complex Kohn approach to molecular ionization by high-energy electrons: Application to H2O, Phys. Rev. A 89, 012703 (2014).
C.-Y. Lin, C. W. McCurdy, and T. N. Rescigno, Theoretical study of (e, 2e) from outer- and inner-valence orbitals of CH4: A complex Kohn treatment, Phys. Rev. A 89, 052718 (2014).
N. Douguet, A. E. Orel, C. H. Greene, and V. Kokoouline, Dissociative recombination of highly symmetric polyatomic ions, Phys. Rev. Lett. 108, 023202 (2012).
N. Douguet, V. Kokoouline, and A. E. Orel, Breaking a tetrahedral molecular ion with electrons: study of NH+, Journal of Physics B: Atomic, Molecular and Optical Physics 45, 051001 (2012).
N. Douguet, T. N. Rescigno, and A. E. Orel, Carbon-K-shell molecular-frame photoelectron angular distributions in the photoisomerization of neutral ethylene, Phys. Rev. A 88, 013412 (2013).
T. N. Rescigno, N. Douguet, and A. E. Orel, Imaging molecular isomerization using molecular-frame photoelectron angular distributions, Journal of Physics B: Atomic, Molecular and Optical Physics 45, 194001 (2012).
S. Fonseca dos Santos, N. Douguet, A. E. Orel, and T. N. Rescigno, Ligand effects in carbon-K-shell photoionization, Phys. Rev. A 91, 023408 (2015).
N. Douguet, V. Kokoouline, and A. E. Orel, Photodetachment cross sections of the C2nH−(n = 1 3) hydrocarbon- chain anions, Phys. Rev. A 90, 063410 (2014).
N. Douguet, B. I. Schneider, and L. Argenti, Application of the complex Kohn variational method to attosecond spectroscopy, Phys. Rev. A 98, 023403 (2018).
N. Douguet, H. Gharibnejad, B.I. Schneider, and L. Argenti, Bull. Am. Phys. Soc. 64, No. 4, D03.00003.
L. Greenman, R. R. Lucchese, and C. W. McCurdy, Variational treatment of electron - polyatomic-molecule scattering calculations using adaptive overset grids, Physical Review A 96, 052706 (2017).
C. A. Marante, L. Greenman, C. S. Trevisan, T. N. Rescigno, C. W. McCurdy, and R. R. Lucchese, Validity of the static-exchange approximation for inner-shell photoionization of polyatomic molecules, Physical Review A 102, 012815 (2020).
J. B. Williams, C. S. Trevisan, M. S. Schöffler, T. Jahnke, I. Bocharova, H. Kim, B. Ulrich, R. Wallauer, F. Sturm,T. N. Rescigno, A. Belkacem, R. Dörner, T. Weber, C. W. McCurdy, and A. L. Landers, Imaging polyatomic molecules in three dimensions using molecular frame photoelectron angular distributions, Phys. Rev. Lett. 108, 233002 (2012).
A. Menssen, C. S. Trevisan, M. S. Schöffler, T. Jahnke, I. Bocharova, F. Sturm, N. Gehrken, B. Gaire, H. Gassert,S. Zeller, J. Voigtsberger, A. Kuhlins, F. Trinter, A. Gatton, J. Sartor, D. Reedy, C. Nook, B. Berry, M. Zohrabi, A. Kalinin, I. Ben-Itzhak, A. Belkacem, R. Dörner, T. Weber, A. L. Landers, T. N. Rescigno, C. W. McCurdy, and J. B. Williams, Molecular frame photoelectron angular distributions for core ionization of ethane, carbon tetrafluoride and 1,1-difluoroethylene, Journal of Physics B: Atomic, Molecular and Optical Physics 49, 055203 (2016).
A. C. Brown, G. S. J. Armstrong, J. Benda, D. D. A. Clarke, J. Wragg, K. R. Hamilton, Z. Măśın, J. D. Gorfinkiel, and H. W. van der Hart, RMT: R-matrix with time-dependence. solving the semi-relativistic, time-dependent Schrödinger equation for general, multielectron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses, Computer Physics Communications 250, 107062 (2020).
J. Benda, J. D. Gorfinkiel, Z. Măśın, G. S. J. Armstrong, A. C. Brown, D. D. A. Clarke, H. W. van der Hart, and J. Wragg, Perturbative and non-perturbative photoionization of H2 and H2O using the molecular R-matrix with time method, Phys. Rev. A 102, 052826 – 23 November 2020.
G. S. J. Armstrong, D. D. A. Clarke, J. Benda, A. C. Brown, and H. W. van der Hart, Electron correlation and short-range dynamics in attosecond angular streaking, Phys. Rev. A 101, 041401 (2020).
A. C. Brown and H. W. van der Hart, Extreme-ultraviolet-initated high-order harmonic generation: Driving inner- valence electrons using below-threshold-energy extreme-ultraviolet light, Phys. Rev. Lett. 117, 093201 (2016).
L. Tao and A. Scrinzi, Photo-electron momentum spectra from minimal volumes: the time-dependent surface flux method, New Journal of Physics 14 (2012) 013021 1367-2630/12/013021.
A. Scrinzi, t-SURFF: fully differential two-electron photo-emission spectra, New Journal of Physics 14, 013021 (2012).
A. Scrinzi, Infinite-range exterior complex scaling as a perfect absorber in time-dependent problems, Phys. Rev. A 81, 053845 (2010).
V. P. Majety, A. Zielinski, and A. Scrinzi, Photoionization of few electron systems: a hybrid coupled channels approach, New Journal of Physics 17, 063002 (2015).
V. P. Majety and A. Scrinzi, Photo-ionization of noble gases: A demonstration of hybrid coupled channels approach, Photonics 2, 93–103 (2015).
V. P. Majety and A. Scrinzi, Dynamic exchange in the strong field ionization of molecules, Phys. Rev. Lett. 115, 103002 (2015).
V. P. Majety and A. Scrinzi, Multielectron effects in strong-field ionization of CO2: Impact on differential photoelectron spectra, Phys. Rev. A 96, 053421 (2017).
V. P. Majety and A. Scrinzi, Absence of electron correlation effects in the helium attoclock setting, Journal of Modern Optics 64, 1026–1030 (2017).
A. Zielinski, V. P. Majety, and A. Scrinzi, Double photoelectron momentum spectra of helium at infrared wavelength, Phys. Rev. A 93, 023406 (2016).
J. Zhu and A. Scrinzi, Electron double-emission spectra for helium atoms in intense 400-nm laser pulses, Phys. Rev. A 101, 063407 (2020).
Z. Măśın, J. Benda, J. D. Gorfinkiel, A. G. Harvey, and J. Tennyson, UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method, Computer Physics Communications 249, 107092 (2020).
UKRmol+, (2020), 10.5281/zenodo.2630495, 10.5281/zenodo.2630570, 10.5281/zenodo.4118420.
A. Sieradzka and J. D. Gorfinkiel, Theoretical study of resonance formation in microhydrated molecules. II. Thymine-(H2O)n, n = 1,2,3,5, The Journal of Chemical Physics 147, 034303 (2017).
M. Richter, J. González-Vázquez, Z. Măśın, D. S. Brambila, A. Harvey, F. Morales, and F. Martın, Ultrafast imaging of laser-controlled non-adiabatic dynamics in NO2 from time-resolved photoelectron emission, Phys. Chem. Chem. Phys., 2019,21, 10038-10051.
C. Marante, M. Klinker, T. Kjellsson, E. Lindroth, J. Gonzalez-Vazquez, L. Argenti, and F. Martın, Photoionization using the XCHEM approach: Total and partial cross sections of Ne and resonance parameters above the 2s22p5 threshold, Physical Review A 96, 022507 (2017).
M. Klinker, C. Marante, L. Argenti, J. Gonzalez-Vazquez, and F. Martın, Electron Correlation in the Ionization Continuum of Molecules: Photoionization of N2 in the Vicinity of the Hopfield Series of Autoionizing States, J. Phys. Chem. Lett. 2018, 9, 4, 756–762 Publication Date:January 24, 2018.
M. Klinker, C. Marante, L. Argenti, J. Gonzalez-Vazquez, and F. Martın, Partial cross sections and interfering resonances in photoionization of molecular nitrogen, Physical Review A 98, 033413 (2018).
S. M. Poullain, M. Klinker, J. Gonzalez-Vazquez, and F. Martın, Resonant photoionization of O2 up to the fourth ionization threshold, Physical Chemistry Chemical Physics 21, 16497 – 16504 (2019).
C. Marante, L. Argenti, and F. Martın, Hybrid Gaussian–B-spline basis for the electronic continuum: Photoionization of atomic hydrogen, Physical Review A 90, 012506 (2014).
C. Marante, M. Klinker, I. Corral, J. Gonzalez-Vazquez, L. Argenti, and F. Martin, Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems, J. Chem. Theory Comput. 2017, 13, 2, 499–514 Publication Date:December 1, 2016.
L. D. Carr, Teaching Research in the Traditional Classroom: Why Make Graduate Students Wait? in APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts (2016) p. H3.001.
L. D. Carr, Teaching Research in Traditional Classrooms: Why Make Graduate Students Wait? American Association of Physics Teachers (2016) p. DB01.
L. D. Carr and S. B. McKagan, Graduate quantum mechanics reform, American Journal of Physics 77, 308–319 (2009).
H. V. Kuo, P. B. Kohl, and L. D. Carr, Socratic dialogs and clicker use in an upper-division mechanics course, Phys. Ed. Res. Conf. Proc. 1413, 235 (2012).
D. L. Vargas, A. M. Bridgeman, D. R. Schmidt, P. B. Kohl, B. R. Wilcox, and L. D. Carr, Correlation between student collaboration network centrality and academic performance, Physical Review Physics Education Research 14, 020112 (2018).
D. Jaschke, S. Montangero, and L. D. Carr, One-dimensional many-body entangled open quantum systems with tensor network methods, Quantum Science and Technology 4, 013001 (2018).
D. Jaschke, M. L. Wall, and L. D. Carr, Open source matrix product states: Opening ways to simulate entangled many-body quantum systems in one dimension, Computer Physics Communications 225, 59–91 (2018).
D. Jaschke and L. D. Carr, Open source matrix product states: exact diagonalization and other entanglement- accurate methods revisited in quantum systems, Journal of Physics A: Mathematical and Theoretical 51, 465302.
L. D. Carr, D. DeMille, R. V. Krems, and J. Ye, Cold and ultracold molecules: science, technology and applications, New Journal of Physics, Volume 11, May 2009.
M. Wall, E. Bekaroglu, and L. D. Carr, Molecular hubbard hamiltonian: Field regimes and molecular species, Physical Review A 88, 023605 (2013). , 055049 (2009).
K. Maeda, M. L. Wall, and L. D. Carr, Hyperfine structure of the hydroxyl free radical (OH) in electric and magnetic fields, New Journal of Physics 17, 045014 (2015).
M. L. Wall and L. D. Carr, Emergent timescales in entangled quantum dynamics of ultracold molecules in optical lattices, New Journal of Physics, Volume 11, May 2009.
B. I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martin, M. Klinker, J. Tennyson, J. D. Gorfinkiel and S. Pamidighantam, A Science Gateway for Atomic and Molecular Physics, (2020).
B. I. Schneider, K. Bartschat, O. Zatsarinny, K. R. Hamilton, I. Bray, A. Scrinzi, F. Martın, J. G. Vasquez, J. Tennyson, J. D. Gorfinkiel, R. R. Lucchese and S. Pamidighantam, Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway.
D. Wannipurage, S. Marru, M. Piece, E. Abeysinghe, S. Pamidighantam, M. Christie, G. Shenoy, A. Dhamnaskar, and L. Jayathilaka, Implementing a flexible, fault tolerant job management system for science gateways, in PEARC 2019 (Association for Computing Machinery, New York, NY, USA, 2019).
M. E. Pierce, S. Marru, E. Abeysinghe, S. Pamidighantam, M. Christie, and D. Wannipurage, Supporting science gateways using Apache Airavata and SciGaP services, in PEARC 2018: Proceedings of the Practice and Experience on Advanced Research Computing (2018).
S. P. Adithela, M. Christie, S. Marru, and M. Pierce, Django content management system evaluation and integration with Apache Airavata, in Proceedings of the Practice and Experience on Advanced Research Computing, PEARC ’18 (Association for Computing Machinery, New York, NY, USA, 2018).
S. Marru, M. Piece, E. Abeysinghe, S. Pamidighantam, M. Christie, and D. Wannipurage, Experiences from scaling scale science gateway operations, in Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (Learning), PEARC ’19 (Association for Computing Machinery, New York, NY, USA, 2019).
S. Marru, J. Alameda, L. Gunathilake, Y. Liu, S. Martin, D. Middleton, J. Palencia, S. Pamidighantam, M. Pierce, T. Schwartz, R. Singh, C. Thompson, T. Uram, S. Wang, N. Wilkins-Diehr, and H. Xu, Science gateway use cases, version 1.1, XSEDE XCI Technical Reports (2019).
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Marlon E. Pierce et al., Apache Airavata: design and directions of a science gateway framework, Concurrency and Computation: Practice and Experience 27, 4282–4291 (2015).
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M. Christie, A. Bhandar, S. Nakandala, S. Marru, E. Abeysinghe, S. Pamidighantam, and M. Pierce, Using keycloak for gateway authentication and authorization, (2017).
I. Ranawaka, S. Marru, J. Graham, A. Bisht, J. Basney, T. Fleury, J. Gaynor, D. Wannipurage, M. Christie, A. Mahmoud, E. Afgan, and M. Pierce, Custos: Security middleware for science gateways, in Practice and Experience in Advanced Research Computing, PEARC ’20 (Association for Computing Machinery, New York, NY, USA, 2020) pp. 278–284.
J. Towns, T. Cockerill, M. Dahan, I. Foster, K. Gaither, A. Grimshaw, V. Hazlewood, S. Lathrop, D. Lifka, G. D. Peterson, R. Roskies, J. R. Scott, and N. Wilkins-Diehr, XSEDE: Accelerating scientific discovery, Computing in Science & Engineering 16, 62–74 (2014).
N. Wilkins-Diehr, S. Sanielevici, J. Alameda, J. Cazes, L. Crosby, M. Pierce, and R. Roskies, An overview of the XSEDE extended collaborative support program, High Performance Computer Applications - 6th International Conference, ISUM 2015, Revised Selected Papers, Communications in Computer and Information Science, Vol. 595 (Springer Verlag, Germany, 2016) pp. 3–13.
P. Z. Vaillancourt, J. E. Coulter, R. Knepper, and B. Barker, Self-scaling clusters and reproducible containers to enable scientific computing, 2020 IEEE High Performance Extreme Computing Conference (HPEC).
J. E. Coulter, E. Abeysinghe, S. Pamidighantam, and M. Pierce, Virtual clusters in the Jetstream cloud: A story of elasticized HPC, in Proceedings of the Humans in the Loop: Enabling and Facilitating Research on Cloud Computing, HARC ’19 (Association for Computing Machinery, New York, NY, USA, 2019).
MPS, (2020), Matrix Product State open source code on Source Forge.
The OpenMolcas Authors, OpenMolcas: From Source Code to Insight, Journal of Chemical Theory and Computation 15, 5925–5964 (2019).
L. C. Pitchford, L. L. Alves, K. Bartschat, S. F. Biagi, M.-C. Bordage, I. Bray, C. E. Brion, M. J. Brunger, L. Campbell, A. Chachereau, B. Chaudhury, L. G. Christophorou, E. Carbone, N. A. Dyatko, C. M. Franck, D. V. Fursa, R. K. Gangwar, V. Guerra, P. Haefliger, G. J. M. Hagelaar, A. Hoesl, Y. Itikawa, I. V. Kochetov, R. P. McEachran, W. L. Morgan, A. P. Napartovich, V. Puech, M. Rabie, L. Sharma, R. Srivastava, A. D. Stauffer, J. Tennyson, J. de Urquijo, J. van Dijk, L. A. Viehland, M. C. Zammit, O. Zatsarinny, and S. Pancheshnyi, LXCat: an open-access, web-based platform for data needed for modeling low temperature plasmas, Plasma Processes and Polymers 14, 1600098 (2017).
P. Saxe, B. H. Lengsfield, B. H. R. Martin, and M. Page, MESA (Molecular Electronic Structure Applications), (unpublished, 1990).
B. I. Schneider, R. Forrey, and N. Balakrishnan, ITAMP meeting: Developing flexible and robust software for computational atomic and molecular physics, (2018).
S. M. Nkambule, A. Larson, S. Fonseca dos Santos, and A. E. Orel, Theoretical study of the mechanism of H2O+ dissociative recombination, Phys. Rev. A 92, 012708 (2015).
S. Fonseca dos Santos, N. Douguet, V. Kokoouline, and A. E. Orel, Scattering matrix approach to the dissociative recombination of HCO+ and N2H+, The Journal of Chemical Physics 140, 164308 (2014).
A. Jablonski, F. Salvat, and C. J. Powell, Comparison of electron elastic-scattering cross sections calculated from two commonly used atomic potentials, Journal of Physical and Chemical Reference Data 33, 409–451 (2004).
Editors, Meetings: Highlights from DAMOP 2016, Physics 9, 67 (2016).