학술논문
Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs
Document Type
Article
Author
Smith, D.G.A.; Barnes, T.A.; Naden, L.N.; Welborn, M.; Altarawy, D.; Lolinco, A.T.; Lee, J.; De Silva, N.; Glick, Z.L.; Alenaizan, A.; Borca, C.H.; Schriber, J.B.; Sherrill, C.D.; Burns, L.A.; Di Remigio, R.; Dotson, D.L.; Wagner, J.R.; Ehlert, S.; Heide, A.G.; Misiewicz, J.P.; Schaefer, H.F.; Turney, J.M.; Herbst, M.F.; Hermann, J.; Hicks, C.B.; Martínez, T.J.; Horton, J.T.; Anwar, J.; Hurtado, A.G.; Kraus, P.; Kruse, H.; Šponer, J.; Lee, S.J.R.; Ramezanghorbani, F.; Scheurer, M.; Dreuw, A.; Simmonett, A.C.; Steinmetzer, J.; Ward, L.; Chodera, J.D.; Kulik, H.J.; Liu, F.; Matthews, D.A.; Wang, L.-P.; King, R.A.; Stanton, J.F.; Gordon, M.S.; Windus, T.L.
Source
In: Journal of Chemical Physics . (Journal of Chemical Physics, 28 November 2021, 155(20))
Subject
Language
English
ISSN
10897690
00219606
00219606