共 50 条
- [41] EFFICIENT NUMERICAL MULTICENTER BASIS SET FOR MOLECULAR-ORBITAL CALCULATIONS - APPLICATION TO FECL4JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12): : 6412 - 6418AVERILL, FWELLIS, DE
- [42] Extrapolating to the one-electron basis-set limit in electronic structure calculationsJOURNAL OF CHEMICAL PHYSICS, 2007, 126 (24):Varandas, A. J. C.
- [43] EFFECT OF BASIS ORBITAL ON SELECTED VALENCE ELECTRON CALCULATIONS OF FLUORINE AND HYDROGEN-FLUORIDE MOLECULESINDIAN JOURNAL OF CHEMISTRY, 1975, 13 (05): : 496 - 497SANNIGRAHI, ABNOORMOHAMMAD, S
- [44] On the basis set convergence of electron electron entanglement measures: helium-like systemsFRONTIERS IN CHEMISTRY, 2013, 1Hofer, Thomas S.
- [45] Complete Multipole Basis Set for Single-Centered Electron SystemsJOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2020, 89 (10)Kusunose, HiroakiOiwa, RikutoHayami, Satoru
- [46] SOME GRAPH-THEORETICAL ASPECTS OF SIMPLE RING CURRENT CALCULATIONS ON CONJUGATED SYSTEMSPROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1975, 341 (1627): : 429 - 449MALLION, RB
- [47] ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON SULFUR-COMPOUNDS .1. CHOICE AND PERFORMANCE OF BASIS SETJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1983, 14 (3-4): : 385 - 392MARSDEN, CJSMITH, BJ
- [48] All-electron product basis set: Application to plasmon anisotropy in simple metalsPHYSICAL REVIEW B, 2019, 99 (24)Budagosky, J. A.Krasovskii, E. E.
- [49] ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE INTERNAL-ROTATION OF STYRENE WITH ELECTRON CORRELATION USING THE POLARIZED 6-31G-STAR BASIS SETJOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (16): : 6175 - 6179TSUZUKI, STANABE, KOSAWA, E
- [50] An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotationsJOURNAL OF CHEMICAL PHYSICS, 2016, 144 (19):Borges, A.Solomon, G. C.