A LIGAND-FIELD APPROACH FOR THE LOW-LYING STATES OF CA, SR AND BA MONOHALIDES

被引：59

作者：

ALLOUCHE, AR

WANNOUS, G

AUBERTFRECON, M

机构：

[1] Laboratoire de Spectrométrie Ionique et Moléculaire (associé au CNRS, URA 171), Université Lyon I, 69622 Villeurbanne Cedex, Bat. 205, 43 Boulevard du

来源：

CHEMICAL PHYSICS | 1993年 / 170卷 / 01期

关键词：

D O I：

10.1016/0301-0104(93)80087-P

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 ligand field approach proposed by Rice, Martin and Field (J. Chem. Phys. 82 (1985) 5023) to describe the low-lying states of calcium monohalides has been extended to strontium and barium monohalides. Molecular wavefunctions are described in terms of model potential functions for alkaline earth ions. Transition energies, permanent and transition dipole moments have been evaluated. The three lowest excited states of each molecule are seen to be correctly represented in this way, the better agreement with experiment being displayed for barium compounds.

引用

页码：11 / 22

页数：12

共 36 条

[1] THEORETICAL-STUDY OF THE ELECTRONIC-STRUCTURE OF THE BAH MOLECULE
ALLOUCHE, AR
NICOLAS, G
BARTHELAT, JC
SPIEGELMANN, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (10) : 7646 - 7655
[2] LASER-INDUCED FLUORESCENCE OF BACL - THE A'2-DELTA STATE
AMIOT, C
VERGES, J
[J]. CHEMICAL PHYSICS LETTERS, 1991, 185 (3-4) : 310 - 312
[3] EIGENCHANNEL R-MATRIX STUDY OF THE J = 0 AND J = 2 EVEN PARITY SPECTRA OF CALCIUM BELOW THE CA+3D3/2 THRESHOLD
AYMAR, M
TELMINI, M
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1991, 24 (23) : 4935 - 4956
[4] THE METASTABLE A' 2-DELTA STATE OF BAF
BARROW, RF
BERNARD, A
EFFANTIN, C
DINCAN, J
FABRE, G
ELHACHIMI, A
STRINGAT, R
VERGES, J
[J]. CHEMICAL PHYSICS LETTERS, 1988, 147 (06) : 535 - 537
[5] LIFETIME MEASUREMENTS OF CACL, CABR AND SRCL - RADIATIVE LIFETIMES OF THE B2-SIGMA+ STATES
BERG, LE
ROYEN, P
WEIJNITZ, P
[J]. MOLECULAR PHYSICS, 1990, 69 (02) : 385 - 390
[6] STUDIES OF THE ELECTRONIC STATES OF THE BAF MOLECULE .2. THE 5D(V = 0, 1, 2) STATES
BERNARD, A
EFFANTIN, C
DINCAN, J
VERGES, J
BARROW, RF
[J]. MOLECULAR PHYSICS, 1990, 70 (05) : 747 - 755
[7] THE 5D STATES OF BARIUM HYDRIDE - BAH AND BAD
BERNARD, A
EFFANTIN, C
DINCAN, J
FABRE, G
STRINGAT, R
BARROW, RF
[J]. MOLECULAR PHYSICS, 1989, 67 (01) : 1 - 18
[8] LASER-INDUCED FLUORESCENCE OF BAF - FURTHER RESULTS FOR 6 ELECTRONIC STATES
BERNARD, A
EFFANTIN, C
ANDRIANAVALONA, E
VERGES, J
BARROW, RF
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1992, 152 (01) : 174 - 178
[9] THEORETICAL-STUDY OF THE LOWEST ELECTRONIC STATES OF CAH AND CAH+ MOLECULES
BOUTALIB, A
DAUDEY, JP
ELMOUHTADI, M
[J]. CHEMICAL PHYSICS, 1992, 167 (1-2) : 111 - 120
[10] AN MRD-CI STUDY OF LOW-LYING ELECTRONIC STATES IN CAF
BUNDGEN, P
ENGELS, B
PEYERIMHOFF, SD
[J]. CHEMICAL PHYSICS LETTERS, 1991, 176 (05) : 407 - 412

← 1 2 3 4 →