ABINITIO AND PSEUDOPOTENTIAL ENERGY CURVES FOR NAK

被引：31

作者：

JANOSCHEK, R ^{[1
]}

LEE, HU ^{[1
]}

机构：

[1] UNIV STUTTGART,INST PHYS CHEM,D-7000 STUTTGART 80,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 58卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)80314-5

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：

Potential energy curves of several low lying electronic states of NaK have been determined by the ab initio and pseudopotential methods. The results are in close agreement with published spectroscopic data. In particular, we identify the 3Π perturbing states suggested from the studies of Loomis and Arvin and of Breford and Engelke. © 1978.

引用

页码：47 / 53

页数：7

共 44 条

[1]

ALLEGRINI M, 1977, CHEM PHYS LETT, V45, P246

[2] EVALUATING FORCE CONSTANTS FROM LCAO-MO-SCF ELECTRONIC CHARGE DENSITIES FOR DIATOMIC-MOLECULES [J].

ANDERSON, AB .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (01) :381-383

[3] SPIN CHANGE COLLISIONS IN CROSSED ATOMIC BEAMS [J].

BECK, D ;

HENKEL, U ;

SCHULTZ, A .

PHYSICS LETTERS A, 1968, A 27 (05) :277-&

[4] THEORETICAL STUDY OF 1SIGMA+, 3SIGMA+, 3PI, 1PI STATES OF NALI AND 2SIGMA+ STATE OF NALI+ [J].

BERTONCI.PJ ;

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5112-&

[5] LASER-INDUCED MOLECULAR FLUORESCENCE IN SUPERSONIC NOZZLE BEAMS - APPLICATIONS TO NAK D1PI-]CHI1SIGMA+ AND D1PI-]23SIGMA+ SYSTEMS [J].

BREFORD, EJ ;

ENGELKE, F .

CHEMICAL PHYSICS LETTERS, 1978, 53 (02) :282-287

[6] ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD [J].

CHANG, TC ;

HABITZ, P ;

PITTEL, B ;

SCHWARZ, WHE .

THEORETICA CHIMICA ACTA, 1974, 34 (04) :263-275

[7] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .9. DIATOMIC MOLECULES OF FIRST-ROW AND SECOND-ROW ATOMS [J].

CHU, SY ;

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :764-&

[8] MOLECULAR-BEAM ELECTRIC DEFLECTION AND RESONANCE SPECTROSCOPY OF HETERONUCLEAR ALKALI DIMERS - K-39L-7, RBLI-7, K-39 NA-23, RB NA-23, AND CS-133 NA-23 [J].

DAGDIGAI.PJ ;

WHARTON, L .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (04) :1487-&

[9] SPIN-CHANGE CROSS-SECTIONS FOR COLLISIONS BETWEEN ALKALI ATOMS [J].

DALGARNO, A ;

RUDGE, MRH .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1965, 286 (1407) :519-&

[10] IONIZATION POTENTIALS OF CLUSTERED ALKALI METAL ATOMS [J].

FOSTER, PJ ;

LECKENBY, RE ;

ROBBINS, EJ .

JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (04) :478-&

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