FULL CL BENCHMARK CALCULATIONS ON N-2, NO, AND O-2 - A COMPARISON OF METHODS FOR DESCRIBING MULTIPLE BONDS

被引：91

作者：

BAUSCHLICHER, CW

LANGHOFF, SR

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 10期

关键词：

D O I：

10.1063/1.452534

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：5595 / 5599

页数：5

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[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
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[5] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
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[6] FULL CL STUDIES OF THE COLLINEAR TRANSITION-STATE FOR THE REACTION F+H-2-]HF+H
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[7] A FULL CL TREATMENT OF THE 1A1, 1B1, AND 3B1 STATES OF SIH2
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[8] A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) : 6510 - 6512
[9] BAUSCHLICHER CW, IN PRESS THEOR CHIM
[10] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH
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