GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS

被引：3554
|
作者：
WACHTERS, AJ
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 03期
关键词：
D O I：
10.1063/1.1673095
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：1033 / &
相关论文
共 50 条
  • [1] GAUSSIAN BASIS SETS FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
    ROOS, B
    VEILLARD, A
    VINOT, G
    THEORETICA CHIMICA ACTA, 1971, 20 (01): : 1 - &
  • [2] GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING SECOND-ROW ATOMS
    VEILLARD, A
    THEORETICA CHIMICA ACTA, 1968, 12 (05): : 405 - &
  • [3] 6-31G*basis set for third-row atoms
    Rassolov, VA
    Ratner, MA
    Pople, JA
    Redfern, PC
    Curtiss, LA
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2001, 22 (09) : 976 - 984
  • [4] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST-ROW AND SECOND-ROW ATOMS
    HUZINAGA, S
    ARNAU, C
    JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01): : 451 - &
  • [5] Serially improved Gaussian-type orbitals for molecular calculations containing third-row atoms
    Lopez, Ignacio Ema
    Moreno, Guillermo Ramirez
    Fernandez, Rafael Lopez
    de la Vega, Jose Manuel Garcia
    PHYSICAL REVIEW A, 2025, 111 (02)
  • [6] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
    CLEMENTI, E
    JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07): : 1944 - &
  • [7] Extension of Gaussian-2 theory to molecules containing third-row atoms Ga-Kr
    Curtiss, Larry A.
    McGrath, Mark P.
    Blaudeau, Jean-Philippe
    Davis, Nancy E.
    Binning, Robert C. Jr.
    Radom, Leo
    Journal of Chemical Physics, 1995, 103 (14):
  • [8] OPTIMIZED GAUSSIAN BASIS SCF WAVEFUNCTIONS FOR FIRST-ROW ATOMS
    WHITMAN, DR
    HORNBACK, CJ
    JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01): : 398 - &
  • [9] Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca
    Blaudeau, JP
    McGrath, MP
    Curtiss, LA
    Radom, L
    JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (13): : 5016 - 5021
  • [10] Extension of gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga-Kr
    Curtiss, LA
    Redfern, PC
    Rassolov, V
    Kedziora, G
    Pople, JA
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (21): : 9287 - 9295
12345