ABINITIO STUDY OF VALENCE STATE POTENTIAL-ENERGY CURVES OF N2

被引：53

作者：

ERMLER, WC

MCLEAN, AD

MULLIKEN, RS

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

[2] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 08期

关键词：

D O I：

10.1021/j100397a019

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：1305 / 1314

页数：10

共 18 条

[1] CONFIGURATION INTERACTION CALCULATIONS FOR N2 MOLECULE AND ITS 3 LOWEST DISSOCIATION LIMITS [J].

BUTSCHER, W ;

SHIH, SK ;

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :457-462

[2] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].

CADE, PE ;

SALES, KD ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&

[3] GENERALIZED VALENCE BOND CALCULATIONS ON GROUND-STATE (X1-SIGMA+(G) OF NITROGEN [J].

DUNNING, TH ;

CARTWRIGHT, DC ;

HUNT, WJ ;

HAY, PJ ;

BOBROWICZ, FW .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) :4755-4766

[4] NEW RYDBERG BANDS IN VISIBLE REGION AND IDENTIFICATION OF LOWEST 1 SIGMA G+ RYDBERG STATE OF N2 MOLECULE [J].

LEDBETTER, JW .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 42 (01) :100-+

[5] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .22. CORRELATION ENERGY CORRECTIONS AS A FUNCTIONAL OF HARTREE-FOCK TYPE DENSITY AND ITS APPLICATION TO HOMONUCLEAR DIATOMIC-MOLECULES OF SECOND ROW ATOMS [J].

LIE, GC ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (04) :1288-1296

[6]

LIU B, COMMUNICATION

[7] SPECTRUM OF MOLECULAR NITROGEN [J].

LOFTHUS, A ;

KRUPENIE, PH .

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1977, 6 (01) :113-307

[8] CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION [J].

MCLEAN, AD ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1066-1078

[9]

MCLEAN AD, 1968, IBM J RES DEV S, V12

[10]

MCLEAN AD, 1980, J CHEM PHYS, V73, P2297

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