2ND ROW HOMOPOLAR DIATOMIC-MOLECULES - POTENTIAL CURVES, SPECTROSCOPIC CONSTANTS, AND DISSOCIATION-ENERGIES AT THE BASIS SET LIMIT FOR SCF AND LIMITED CI WAVE-FUNCTIONS

被引：80

作者：

MCLEAN, AD ^{[1
]}

LIU, B ^{[1
]}

CHANDLER, GS ^{[1
]}

机构：

[1] UNIV WESTERN AUSTRALIA,SCH CHEM,NEDLANDS,WA 6009,AUSTRALIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 10期

关键词：

D O I：

10.1063/1.446584

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：5130 / 5140

页数：11

共 10 条

[1] THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD
BRUNA, PJ
PEYERIMHOFF, SD
BUENKER, RJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) : 5437 - 5445
[2] THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE CSI+ AND SI-2-(+) MOLECULAR-IONS
BRUNA, PJ
PETRONGOLO, C
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) : 4611 - 4620
[3] Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[4] Davidson E.R., 1974, WORLD QUANTUM CHEM
[5] Huber K., 1979, MOL SPECTRA MOL STRU
[6] CLASSIFICATION OF CONFIGURATIONS AND DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTION
MCLEAN, AD
LIU, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1066 - 1078
[7] ABINITIO CALCULATIONS ON THE 3-SIGMA-G-, 1-SIGMA-G+, 3-PI-G, AND 1-PI-G SYMMETRIES OF S-2 - VALENCE, ION-PAIR, AND RYDBERG STATES
SAXON, RP
LIU, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) : 5174 - 5181
[8] MULTIPLE SUBSTITUTION EFFECTS IN CONFIGURATION INTERACTION CALCULATIONS
SIEGBAHN, EM
[J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (02) : 386 - 394
[9] MANY-ELECTRON THEORY OF NONCLOSED-SHELL ATOMS AND MOLECULES .I. ORBITAL WAVEFUNCTION AND PERTURBATION THEORY
SILVERSTONE, HJ
SINANOGL.O
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1899 - +
[10] DIATOMIC SULFUR - LOW-LYING BOUND MOLECULAR ELECTRONIC STATES OF S2
SWOPE, WC
LEE, YP
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (02) : 947 - 953

← 1 →