THEORY OF SELF-CONSISTENT ELECTRON PAIRS - ITERATIVE METHOD FOR CORRELATED MANY-ELECTRON WAVEFUNCTIONS

被引：313
作者：
MEYER, W [1 ]
机构：
[1] JOHANNES GUTENBERG UNIV,INST PHYS CHEM,MAINZ,FED REP GER
来源：
JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 07期
关键词：
D O I：
10.1063/1.432551
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
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页码：2901 / 2907
页数：7
相关论文
共 21 条
[1]   DIRECT DETERMINATION OF PAIR NATURAL ORBITALS - NEW METHOD TO SOLVE MULTI-CONFIGURATION HARTREE-FOCK PROBLEM FOR 2-ELECTRON WAVE-FUNCTIONS [J].
AHLRICHS, R ;
DRIESSLER, F .
THEORETICA CHIMICA ACTA, 1975, 36 (04) :275-287
[2]   ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES [J].
DAVIDSON, ER .
JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :87-94
[3]   CORRELATION EFFECTS IN MANY FERMION SYSTEMS .2. LINKED CLUSTERS [J].
KELLY, HP .
PHYSICAL REVIEW, 1964, 134 (6A) :1450-+
[4]  
KELLY HP, 1964, PHYS REV B, V136, P896
[5]  
MCWEENY R, 1965, ADV QUANTUM CHEM, V2, P93
[6]   PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES [J].
MEYER, W ;
ROSMUS, P .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2356-2375
[7]   PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE [J].
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1017-1035
[8]   PNO-CI AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .2. POTENTIAL CURVES AND DIPOLE-MOMENT FUNCTIONS OF OH RADICAL [J].
MEYER, W .
THEORETICA CHIMICA ACTA, 1974, 35 (04) :277-292
[9]  
MEYER W, 1976, MODERN THEORETICAL C
[10]  
Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [10.1002/qua.560050839, DOI 10.1002/QUA.560050839]
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