NON-EMPIRICAL CALCULATION OF THE POTENTIAL CURVES OF LINEAR-MOLECULES - LOW-LYING STATES OF BN

被引：0

作者：

KHAIT, YG

BARANOVSKII, VI

机构：

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 1980年 / 21卷 / 03期

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D O I：

10.1007/BF00746842

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

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页码：266 / 271

页数：6

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共 21 条

[1] DERIVATION OF GENERAL OPEN-SHELL SCF EQUATIONS FOR ATOMS AND MOLECULES WITH A GREEN-FUNCTION METHOD
ALBAT, R
GRUEN, N
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (04) : 601 - 613
[2] [Anonymous], 1971, COMPUTATIONAL METHOD
[3] INTEGRAL TRANSFORMATIONS - BOTTLENECK IN MOLECULAR QUANTUM MECHANICAL CALCULATIONS
BENDER, CF
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1972, 9 (03) : 547 - &
[4] NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) : 1769 - &
[5] GARTON D, 1974, THEORETICAL CHEMISTR, V1, P34
[6] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[7] KHAIT YG, 1978, THERMODYNAMICS KINET, P3
[8] COMPUTATION OF MOLECULAR PROPERTIES AND STRUCTURE
MCLEAN, AD
YOSHIMIN.M
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1968, 12 (03) : 206 - &
[9] McWeeny R., 1969, METHODS MOL QUANTUM
[10] SCF METHOD FOR EXCITED-STATES - A3II STATE OF BN
MELROSE, MP
RUSSELL, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (06) : 2586 - &