HUND RULE AND SINGLET-TRIPLET ENERGY DIFFERENCES FOR MOLECULAR-SYSTEMS

被引：30

作者：

DARVESH, KV

BOYD, RJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 09期

关键词：

D O I：

10.1063/1.453651

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：5329 / 5332

页数：4

共 36 条

[21] SINGLE-CONFIGURATION CALCULATIONS ON EXCITED STATES OF HELIUM .2. [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (12) :4199-&

[22] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[23] SPECTRUM AND STRUCTURE OF SINGLET CH2 [J].

HERZBERG, G ;

JOHNS, JWC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1441) :107-&

[24] STUDY OF INTERPRETATION OF HUNDS RULE [J].

KATRIEL, J .

THEORETICA CHIMICA ACTA, 1972, 23 (04) :309-&

[25] SINGLET-TRIPLET EXPECTATION VALUE DIFFERENCES FOR 2-ELECTRON IONS [J].

KILLINGBECK, J .

MOLECULAR PHYSICS, 1973, 25 (02) :455-459

[26] DIFFERENCE IN ENERGY BETWEEN SINGLET AND TRIPLET-STATES [J].

KOHL, DA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) :4236-&

[27] ONE-CONFIGURATION AND 2-CONFIGURATION HARTREE-FOCK LIMIT PREDICTIONS FOR SINGLET-TRIPLET SEPARATION IN METHYLENE AND SILYLENE [J].

MEADOWS, JH ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (15) :4383-4386

[28] AN ANALYSIS OF ORIGIN OF A MISCONCEPTION REGARDING TRIPLET STATE [J].

MESSMER, RP ;

BIRSS, FW .

JOURNAL OF PHYSICAL CHEMISTRY, 1969, 73 (06) :2085-&

[29]

Pauncz R., 1977, ADV QUANTUM CHEM, V10, P143

[30] LCGTO-LSD CALCULATIONS FOR CH2 [J].

RADZIO, E ;

SALAHUB, DR .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (02) :241-247

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