Psi4 1.4: Open-source software for high-throughput quantum chemistry
Psi4 1.4:用于高通量量子化学的开源软件
期刊:Journal of Chemical Physics
影响因子:3.1
doi:10.1063/5.0006002
Smith, Daniel G A; Burns, Lori A; Simmonett, Andrew C; Parrish, Robert M; Schieber, Matthew C; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M; Lehtola, Susi; Misiewicz, Jonathon P; Scheurer, Maximilian; Shaw, Robert A; Schriber, Jeffrey B; Xie, Yi; Glick, Zachary L; Sirianni, Dominic A; O'Brien, Joseph Senan; Waldrop, Jonathan M; Kumar, Ashutosh; Hohenstein, Edward G; Pritchard, Benjamin P; Brooks, Bernard R; Schaefer, Henry F 3rd; Sokolov, Alexander Yu; Patkowski, Konrad; DePrince, A Eugene 3rd; Bozkaya, Uğur; King, Rollin A; Evangelista, Francesco A; Turney, Justin M; Crawford, T Daniel; Sherrill, C David