Massively Parallel Computational Chemistry with the Super Instruction Architecture and ACES4
Byrd, Jason N., Lotrich, Victor F., Sanders, Beverly A.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.09.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.09.2024)
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Journal Article
Advanced concepts in electronic structure (ACES) software programs
Perera, Ajith, Bartlett, Rodney J, Sanders, Beverly A, Lotrich, Victor F, Byrd, Jason N
Published in The Journal of chemical physics (14.05.2020)
Published in The Journal of chemical physics (14.05.2020)
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Journal Article
A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy
Lutz, Jesse J, Byrd, Jason N, Lotrich, Victor F, Jensen, Daniel S, Zádor, Judit, Hubbard, Joshua A
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
Published in Physical chemistry chemical physics : PCCP (20.04.2022)
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Journal Article
Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks
Byrd, Jason N, Lutz, Jesse J, Jin, Yifan, Ranasinghe, Duminda S, Montgomery, Jr, John A, Perera, Ajith, Duan, Xiaofeng F, Burggraf, Larry W, Sanders, Beverly A, Bartlett, Rodney J
Published in The Journal of chemical physics (14.07.2016)
Published in The Journal of chemical physics (14.07.2016)
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Journal Article
Long-range interactions between like homonuclear alkali metal diatoms
Byrd, Jason N, Côté, Robin, Montgomery, Jr, John A
Published in The Journal of chemical physics (28.12.2011)
Published in The Journal of chemical physics (28.12.2011)
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Journal Article
Photoassociation of ultracold long-range polyatomic molecules
Gacesa, Marko, Byrd, Jason N., Smucker, Jonathan, Montgomery, John A., Côté, Robin
Published in Physical review research (01.06.2021)
Published in Physical review research (01.06.2021)
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Journal Article
Structure, energetics, and reactions of alkali tetramers
Byrd, Jason N, Michels, H Harvey, Montgomery, Jr, John A, Côté, Robin, Stwalley, William C
Published in The Journal of chemical physics (07.01.2012)
Published in The Journal of chemical physics (07.01.2012)
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Journal Article
Molecular cluster perturbation theory. I. Formalism
Byrd, Jason N., Jindal, Nakul, Molt, Robert W., Bartlett, Rodney J., Sanders, Beverly A., Lotrich, Victor F.
Published in Molecular physics (17.11.2015)
Published in Molecular physics (17.11.2015)
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Journal Article
Ab initio potential curves for the X2Σu+, A2Πu and B2Σg+ states of Ca2
Banerjee, Sandipan, Montgomery, John A., Byrd, Jason N., Michels, H. Harvey, Côté, Robin
Published in Chemical physics letters (23.07.2012)
Published in Chemical physics letters (23.07.2012)
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Journal Article
Ab initio potential curves for the X 2 Σ u + , A 2 Π u and B 2 Σ g + states of Ca 2
Banerjee, Sandipan, Montgomery, John A., Byrd, Jason N., Michels, H. Harvey, Côté, Robin
Published in Chemical physics letters (01.07.2012)
Published in Chemical physics letters (01.07.2012)
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Journal Article
Long-range three-body atom–diatom potential for doublet Li3
Byrd, Jason N., Michels, H. Harvey, Montgomery, John A., Côté, Robin
Published in Chemical physics letters (09.03.2012)
Published in Chemical physics letters (09.03.2012)
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Journal Article
Electronic structure of the Li2 [X 1 Σ] Li [ 2 p] excited 2 A″ surface
Byrd, Jason N., Montgomery, John A., Michels, H. Harvey, Côté, Robin
Published in International journal of quantum chemistry (01.12.2009)
Published in International journal of quantum chemistry (01.12.2009)
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Journal Article
Electronic structure of the Li2 [X 1Σ g+] Li [2p] excited 2A″ surface
Byrd, Jason N., Montgomery Jr, John A., Michels, H. Harvey, Côté, Robin
Published in International journal of quantum chemistry (01.12.2009)
Published in International journal of quantum chemistry (01.12.2009)
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Journal Article