THE X3-PI, B3-SIGMAT AND C3-PI STATES OF SIC ACCORDING TO ABINITIO CASSCF-CCI CALCULATIONS

被引：30

作者：

LARSSON, M

机构：

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1986年 / 19卷 / 08期

关键词：

D O I：

10.1088/0022-3700/19/8/001

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：L261 / L265

页数：5

共 23 条

[11] SILICON-CARBIDE - ITS GROUND-STATE AND PREDICTED SPECTRUM [J].

LUTZ, BL ;

RYAN, JA .

ASTROPHYSICAL JOURNAL, 1974, 194 (03) :753-756

[12] VISIBLE SPECTROSCOPY OF JET-COOLED SIC2 - GEOMETRY AND ELECTRONIC-STRUCTURE [J].

MICHALOPOULOS, DL ;

GEUSIC, ME ;

LANGRIDGESMITH, PRR ;

SMALLEY, RE .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (08) :3556-3560

[13] THE EFFECT OF 3D SHELL BACK BONDING ON THE BINDING OF CHLORINE CONTAINING MOLECULES [J].

PETTERSSON, LGM ;

SIEGBAHN, PEM .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (07) :3538-3546

[14] POTENTIAL-ENERGY CURVES AND TRANSITION MOMENTS FOR THE LOW-LYING ELECTRONIC STATES OF THE SI2 MOLECULE [J].

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1982, 72 (1-2) :111-118

[15]

ROHLFING C, 1986, UNPUB J PHYS CHEM

[16] POLARIZATION FUNCTIONS FOR FIRST AND SECOND ROW ATOMS IN GAUSSIAN TYPE MO-SCF CALCULATIONS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :199-&

[17]

SARRE PJ, 1985, COMMUNICATION

[18]

SHIM I, 1984, 39TH P S MOL SPECTR

[19] THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE [J].

SIEGBAHN, PEM ;

ALMLOF, J ;

HEIBERG, A ;

ROOS, BO .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2384-2396

[20] THE EXTERNALLY CONTRACTED CI METHOD APPLIED TO N-2 [J].

SIEGBAHN, PEM .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (06) :1869-1889

← 1 2 3 →