Solvent Effects on Electronic Spectra Studied by Multiconfigurational Perturbation Theory

被引：0
|
作者：
Serrano-Andres, L.
Fuelscher, M. P.
Karlstroem, G.
机构：
来源：
International Journal of Quantum Chemistry | / 65卷 / 02期
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] Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole
    Roos, Bjorn O.
    Veryazov, Valera
    Conradie, Jeanet
    Taylor, Peter R.
    Ghosh, Abhik
    JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (45) : 14099 - 14102
  • [32] Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations
    Sousa, C
    de Graaf, C
    Pacchioni, G
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (14) : 6259 - 6264
  • [33] Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory
    Tatewaki, Hiroshi
    Yamamoto, Shigeyoshi
    Watanabe, Yoshihiro
    Nakano, Haruyuki
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (21)
  • [34] Electronic structure of LaO based on frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory
    Moriyama, Hiroko
    Watanabe, Yoshihiro
    Nakano, Haruyuki
    Yamamoto, Shigeyoshi
    Tatewaki, Hiroshi
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (12)
  • [35] A NOTE ON THE CONVERGENCE OF MULTICONFIGURATIONAL MANY-BODY PERTURBATION-THEORY
    IIJIMA, N
    SAIKA, A
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1985, 27 (04) : 481 - 493
  • [36] A Two-Scale Approach to Electron Correlation in Multiconfigurational Perturbation Theory
    Farahani, Pooria
    Roca-Sanjuan, Daniel
    Aquilante, Francesco
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2014, 35 (22) : 1609 - 1617
  • [37] Multireference perturbation theory applied to multiconfigurational problems: is the CASSCF step necessary?
    Robinson, D
    Mcdouall, JJW
    MOLECULAR PHYSICS, 2006, 104 (5-7) : 681 - 690
  • [38] A THEORY OF SOLVENT EFFECTS IN INFRA-RED SPECTRA
    PULLIN, ADE
    PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 255 (1280): : 39 - 43
  • [39] THEORY OF DISPERSION ENERGY AND SOLVENT EFFECTS ON MOLECULAR SPECTRA
    MAHANTY, J
    RAO, CNR
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1976, 31 (09): : 1094 - 1097
  • [40] Microheterogeneities in binary solvent mixtures studied by electronic absorption spectra of a solvatochromic merocyanine dye
    Kaneko, Hijiri
    Hanami, Kozue
    Yoshimura, Norio
    Takayanagi, Masao
    CHEMICAL PHYSICS LETTERS, 2007, 448 (1-3) : 31 - 34
12345