Application of Gaussian-Type Basis Sets to Ab Initio Calculations in Strong Magnetic Fields

被引:0
|
作者
Kravchenko, Y. P.
Liberman, M. A.
机构
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules
    Paschoal, Diego
    Costa, Marcello F.
    Junqueira, Georgia M. A.
    Dos Santos, Helio F.
    JOURNAL OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING, 2010, 10 (3-6) : 239 - 256
  • [32] Gaussian basis sets by generator coordinate Hartree-Fock method to ab initio calculations of electron affinities of enolates
    Savedra, RML
    Pinheiro, JC
    Treu, O
    Kondo, RT
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 587 : 9 - 17
  • [33] Electric properties of the azide ion calculated with a systematic sequence of Gaussian-type basis sets
    Maroulis, G
    Hatzis, A
    Haskopoulos, A
    CHEMICAL PHYSICS, 2006, 323 (2-3) : 451 - 457
  • [34] ATOMIC ORBITAL BASIS-SET OPTIMIZATION FOR AB-INITIO CALCULATIONS OF MOLECULES WITH HYDROGEN-ATOMS IN STRONG MAGNETIC-FIELDS
    KAPPES, U
    SCHMELCHER, P
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (04): : 2878 - 2887
  • [35] Interaction optimized basis sets for correlated ab initio calculations on the water dimer
    van, Duijneveldt-van de Rijdt, J.G.C.M.
    van Duijneveldt, F.B.
    Journal of Chemical Physics, 111 (09):
  • [36] Interaction optimized basis sets for correlated ab initio calculations on the water dimer
    van Duijneveldt-van de Rijdt, JGCM
    van Duijneveldt, FB
    JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (09): : 3812 - 3819
  • [37] Contracted Gaussian-type basis functions revisited
    Tatewaki, H
    Koga, T
    JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (21): : 8493 - 8499
  • [38] ON THE USE OF GAUSSIAN-TYPE FUNCTIONS IN DIRAC-FOCK BASIS SET EXPANSION CALCULATIONS
    ISHIKAWA, Y
    SEKINO, H
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1988, : 457 - 463
  • [39] Bi-orthonormal sets of Gaussian-type modes
    Bastiaans, MJ
    Alieva, T
    JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 2005, 38 (46): : 9931 - 9939
  • [40] GAUSSIAN BASIS SETS FOR POLARIZABILITY CALCULATIONS
    CHRISTIANSEN, PA
    MCCULLOUGH, EA
    CHEMICAL PHYSICS LETTERS, 1978, 55 (03) : 439 - 442