Gerald Knizia

Gerald Knizia

Pennsylvania State University - University Park / United States
Engineering & Technology / Electrical & Electronic Engineering
AD Scientific Index ID: 898854
person_outline Gerald Knizia's MOST POPULAR ARTICLES
1-) Molpro: a general‐purpose quantum chemistry program packageHJ Werner, PJ Knowles, G Knizia, FR Manby, M SchützWiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 242-253, 201229522012
2-) Molpro 2012.1, a package of ab initio programs, 2012, see http://www.molpro.netHJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...www.molpro.net, 20122594*2012
3-) Simplified CCSD (T)-F12 methods: Theory and benchmarksG Knizia, TB Adler, HJ WernerThe Journal of chemical physics 130 (5), 200918932009
4-) A simple and efficient CCSD (T)-F12 approximationTB Adler, G Knizia, HJ WernerThe Journal of chemical physics 127 (22), 200719702007
5-) Intrinsic atomic orbitals: An unbiased bridge between quantum theory and chemical conceptsG KniziaJournal of chemical theory and computation 9 (11), 4834-4843, 201310092013