STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY

被引：9

作者：

COOPER, DL

GERRATT, J

RAIMONDI, M

SIRONI, M

机构：

[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

[2] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILANO,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 03期

关键词：

D O I：

10.1063/1.453230

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

页码：1666 / 1676

页数：11

共 44 条

[21] THE SPIN-COUPLED VALENCE BOND THEORY OF MOLECULAR ELECTRONIC-STRUCTURE .1. BASIC THEORY AND APPLICATION TO THE 2-SIGMA + STATES OF BEH
GERRATT, J
RAIMONDI, M
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 371 (1747): : 525 - 552
[22] Comparison Between the Performances of the Spin-Projected Hartree-Fock, Generalized Valence-Bond, and Spin-Coupled Approaches
Karadakov, Peter B.
Cooper, David L.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 109 (11) : 2447 - 2455
[23] VALENCE BOND CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. COUPLED VALENCE BOND PERTURBATION-THEORY
KIRTMAN, B
KIRTLEY, KB
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (11): : 1470 - 1472
[24] SPIN-COUPLED VB STUDY OF THE DI-CATIONS OF METHANE, AMMONIA AND WATER
SIRONI, M
COOPER, DL
GERRATT, J
RAIMONDI, M
MOLECULAR PHYSICS, 1988, 65 (01) : 251 - 259
[25] THE INTERPRETATION OF BINARY (E, 2E) SPECTROSCOPY USING SPIN-COUPLED THEORY
ALLAN, NL
COOPER, DL
GERRATT, J
RAIMONDI, M
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1987, 42 (02) : 127 - 148
[26] STUDY OF THE MECHANISM OF FORMATION OF CH2+(2A1, 2B1) FROM C+(2P)+H2 USING SPIN-COUPLED VALENCE BOND THEORY
WALTERS, SG
PENOTTI, F
GERRATT, J
RAIMONDI, M
MOLECULAR PHYSICS, 1987, 61 (06) : 1341 - 1357
[27] Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn (n=1-4)
Xu, Lu T.
Thompson, Jasper V. K.
Dunning, Thom H., Jr.
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 123 (12): : 2401 - 2419
[28] THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY
HYAMS, PA
GERRATT, J
COOPER, DL
RAIMONDI, M
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (06): : 4408 - 4416
[29] Computational study on small water clusters using a semiempirical valence bond approach
Wang, YL
Gunn, JR
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1999, 77 (03): : 367 - 377
[30] CALCULATION OF POTENTIAL-ENERGY CURVES FOR THE PROCESS C-3+(2L)+H(1S) -] C-2+ (NLN'L'-1L)+H+ USING SPIN-COUPLED VALENCE-BOND THEORY
COOPER, DL
FORD, MJ
GERRATT, J
RAIMONDI, M
PHYSICAL REVIEW A, 1986, 34 (03): : 1752 - 1756

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