The 1 and 2(1)Pi twin states of KRb revisited

被引：18

作者：

Leininger, T

Stoll, H

Jeung, GH

机构：

[1] LAB AIMEE COTTON,CNRS UPR 3321,F-91405 ORSAY,FRANCE

[2] ASCI CORP,CNRS UPR 9029,F-91405 ORSAY,FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1997年 / 106卷 / 06期

关键词：

D O I：

10.1063/1.473977

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：

We performed new ab initio calculations with a core-polarization-potential treatment of the core-valence correlation for the ground and the two first (1) Pi excited states of the KRb dimer. Contrary to a previous result [Phys. Rev. A 51, 1929 (1995)], the potential curves obtained are now in perfect agreement with recent experimental studies. However, it is shown that the qualitative discussion given previously remains valid. (C) 1997 American Institute of Physics.

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页码：2541 / 2543

页数：3

相关论文

共 13 条

[1]

BERNING A, UNPUB

[2] NEGATIVE-ION PHOTOELECTRON-SPECTROSCOPY OF THE HETERONUCLEAR ALKALI-METAL DIMER AND TRIMER ANIONS - NAK-, KRB-, RBCS-, KCS-, NA2K-, AND K2CS- [J].

EATON, JG ;

SARKAS, HW ;

ARNOLD, ST ;

MCHUGH, KM ;

BOWEN, KH .

CHEMICAL PHYSICS LETTERS, 1992, 193 (1-3) :141-146

[3] A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS [J].

FUENTEALBA, P ;

PREUSS, H ;

STOLL, H ;

VONSZENTPALY, L .

CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :418-422

[4] ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN-ORBIT OPERATORS .2. K THROUGH KR [J].

HURLEY, MM ;

PACIOS, LF ;

CHRISTIANSEN, PA ;

ROSS, RB ;

ERMLER, WC .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (12) :6840-6853

[5] ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN ORBIT OPERATORS .3. RB THROUGH XE [J].

LAJOHN, LA ;

CHRISTIANSEN, PA ;

ROSS, RB ;

ATASHROO, T ;

ERMLER, WC .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2812-2824

[6] The accuracy of the pseudopotential approximation: Non-frozen-core effects for spectroscopic constants of alkali fluorides XF (X=K, Rb, Ca) [J].

Leininger, T ;

Nicklass, A ;

Kuchle, W ;

Stoll, H ;

Dolg, M ;

Bergner, A .

CHEMICAL PHYSICS LETTERS, 1996, 255 (4-6) :274-280

[7] CALCULATION OF THE WEAKLY COUPLED 1 AND 2 (1)PI TWIN STATES OF KRB [J].

LEININGER, T ;

JEUNG, GH .

PHYSICAL REVIEW A, 1995, 51 (03) :1929-1935

[8] TREATMENT OF INTERSHELL CORRELATION-EFFECTS IN ABINITIO CALCULATIONS BY USE OF CORE POLARIZATION POTENTIALS - METHOD AND APPLICATION TO ALKALI AND ALKALINE-EARTH ATOMS [J].

MULLER, W ;

FLESCH, J ;

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3297-3310

[9] Optical-optical double resonance polarization spectroscopy of the B-1 Pi state of (KRb)-K-39-Rb-85 [J].

Okada, N ;

Kasahara, S ;

Ebi, T ;

Baba, M ;

Kato, H .

JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (09) :3458-3465

[10] THE GROUND-STATE OF KRB FROM LASER-INDUCED FLUORESCENCE [J].

ROSS, AJ ;

EFFANTIN, C ;

CROZET, P ;

BOURSEY, E .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1990, 23 (12) :L247-L251