BERKELEY-SYSTEM .3. GENERAL CONFIGURATION-INTERACTION METHODS FOR OPEN-SHELL MOLECULAR ELECTRONIC STATES

被引：15

作者：

BROOKS, BR

SCHAEFER, HF

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1978年 / 14卷 / 05期

关键词：

D O I：

10.1002/qua.560140507

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：603 / 612

页数：10

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[11] GERSHGORN Z, 1968, INT J QUANTUM CHEM, V2, P741
[12] CALCULATED POTENTIAL-ENERGY CURVES FOR CH+
GREEN, S
LIU, B
BAGUS, PS
YOSHIMINE, M
MCLEAN, AD
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1972, 5 (04): : 1614 - +
[13] THEORETICAL STUDY OF CURVE CROSSING - AB-INITIO CALCULATIONS ON 4 LOWEST 1SIGMA+ STATES OF LIF
KAHN, LR
HAY, PJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) : 3530 - 3546
[14] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .1. PHYSICAL INTERPRETATIONS BY MEANS OF DENSITY MATRICES, NATURAL SPIN-ORBITALS, AND CONVERGENCE PROBLEMS IN THE METHOD OF CONFIGURATIONAL INTERACTION
LOWDIN, PO
[J]. PHYSICAL REVIEW, 1955, 97 (06): : 1474 - 1489
[15] NORMAL CONSTANTS OF MOTION IN QUANTUM MECHANICS TREATED BY PROJECTION TECHNIQUE
LOWDIN, PO
[J]. REVIEWS OF MODERN PHYSICS, 1962, 34 (03) : 520 - &
[16] FORMULATION OF DIRECT CONFIGURATION INTERACTION METHOD FOR TRIPLET SPIN STATES - APPLICATIONS TO GLYOXAL
LUCCHESE, RR
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) : 769 - 774
[17] BERKELEY - OPEN ENDED CONFIGURATION INTERACTION (CL) PROGRAM DESIGNED FOR MINICOMPUTERS
LUCCHESE, RR
BROOKS, BR
MEADOWS, JH
SWOPE, WC
SCHAEFER, HF
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1978, 26 (02) : 243 - 251
[18] METAL-CARBENE COMPLEXES AND POSSIBLE ROLE OF HYDROXY-CARBENE IN FORMALDEHYDE LASER PHOTOCHEMISTRY
LUCCHESE, RR
SCHAEFER, HF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) : 298 - 299
[19] CONFIGURATION INTERACTION CALCULATIONS ON PLANAR (PI,PISTAR)-1 STATE OF ETHYLENE
MCMURCHIE, LE
DAVIDSON, ER
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07) : 2959 - 2971
[20] ALGORITHM FOR DIAGONALIZATION OF LARGE MATRICES
NESBET, RK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) : 311 - &

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