Dergi makalesi Açık Erişim
Parrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; Patkowski, Konrad
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A." }, { "affiliation": "NHLBI, NIH, Lab Computat Biol, 5635 Fishers Lane,T-900 Suite, Rockville, MD 20852 USA", "name": "Simmonett, Andrew C." }, { "affiliation": "Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA", "name": "DePrince, A. Eugene, III" }, { "name": "Hohenstein, Edward G." }, { "affiliation": "Hacettepe Univ, Dept Chem, TR-06800 Ankara, Turkey", "name": "Bozkaya, Ugur" }, { "affiliation": "CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA", "name": "Sokolov, Alexander Yu." }, { "affiliation": "UiT, Ctr Theoret & Computat Chem, Dept Chem, N-9037 Tromso, Norway", "name": "Di Remigio, Roberto" }, { "affiliation": "Georgia Inst Technol, Sch Computat Sci & Engn, Sch Chem & Biochem, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA", "name": "Richard, Ryan M." }, { "affiliation": "Georgia Inst Technol, Sch Computat Sci & Engn, Sch Chem & Biochem, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA", "name": "Gonthier, Jerome F." }, { "affiliation": "Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA", "name": "James, Andrew M." }, { "affiliation": "Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA", "name": "McAlexander, Harley R." }, { "affiliation": "Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA", "name": "Kumar, Ashutosh" }, { "name": "Saitow, Masaaki" }, { "affiliation": "Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA", "name": "Wang, Xiao" }, { "affiliation": "Georgia Inst Technol, Sch Computat Sci & Engn, Sch Chem & Biochem, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA", "name": "Pritchard, Benjamin P." }, { "affiliation": "Emory Univ, Dept Chem, 1515 Pierce Dr, Atlanta, GA 30322 USA", "name": "Prakash, Verma" }, { "affiliation": "Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA", "name": "Schaefer, Henry F., III" }, { "affiliation": "Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA", "name": "Patkowski, Konrad" }, { "affiliation": "Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA", "name": "Patkowski, Konrad" } ], "description": "PSI4 is an ab initio electronic structure program providing methods such as Hartree Fock, density functional theory, configuration interaction, and coupled-cluster theory. 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