ABINITIO CALCULATIONS OF THE ELECTRONIC-STRUCTURE AND THE VIBRATIONAL-SPECTRA OF THE X2-SIGMA-G+,SIGMA-2-U+,A2-PI-U AND PI-2-G STATES OF LI2+

被引：62

作者：

KONOWALOW, DD ^{[1
]}

ROSENKRANTZ, ME ^{[1
]}

机构：

[1] NBS, DIV MOLEC SPECTROSCOPY, WASHINGTON, DC 20234 USA

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 61卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)87157-2

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：

The potential energy curves and quadrupole moment for the X 2Σ+ g, 2Σ+ u, A 2Πu and 2Πg states of Li+ 2 are presented. Our dissociation energy for the X2 Σ+ g state. De = 10324 cm-1, gives excellent agreement with the recent experimental estimate of Mathur and co-workers. © 1979.

引用

页码：489 / 494

页数：6

共 33 条

[1]

Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299

[2] Pseudopotential calculations of alkali interactions [J].

Bardsley, J. N. .

CHEMICAL PHYSICS LETTERS, 1970, 7 (05) :517-520

[3] MODEL POTENTIAL CALCULATIONS OF POTENTIAL ENERGIES OF EXCITED-STATES OF LI+-2 [J].

BOTTCHER, C ;

DALGARNO, A .

CHEMICAL PHYSICS LETTERS, 1975, 36 (02) :137-144

[4]

Buckingham A., 1967, ADV CHEM PHYS, V12, P107, DOI DOI 10.1002/9780470143582.CH2

[5]

DAS G, 1972, ANL7955 REP

[6] OSCILLATOR-STRENGTHS AND PHOTODISSOCIATION CROSS-SECTIONS FOR LI-2(+) AND NA-2(+) [J].

DOCKEN, KK ;

CERJAN, CJ ;

DALGARNO, A .

CHEMICAL PHYSICS LETTERS, 1976, 40 (02) :205-209

[7] MULTIPHOTON IONIZATION - METHOD FOR CHARACTERIZING MOLECULAR-BEAMS AND BEAM REACTION-PRODUCTS [J].

FELDMAN, DL ;

LENGEL, RK ;

ZARE, RN .

CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :413-417

[8] HARTREE-FOCK POTENTIAL-ENERGY CURVES, SPECTROSCOPIC CONSTANTS, AND 1-ELECTRON PROPERTIES FOR LOWEST 2 SIGMA+G+ AND 2 PI-MU STATES OF LI2+ [J].

HENDERSON, GA ;

ZEMKE, WT ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) :2654-2656

[9] MULTIPHOTON IONIZATION - MASS SELECTIVE LASER-SPECTROSCOPY OF NA2 AND K2 IN MOLECULAR-BEAMS [J].

HERRMANN, A ;

LEUTWYLER, S ;

SCHUMACHER, E ;

WOSTE, L .

CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :418-425

[10]

HESSEL MM, UNPUBLISHED

← 1 2 3 4 →