Nonadiabatic corrections to the lowest EF (1)Sigma(g) and I-1 Pi(-)(g) vibrational levels of the hydrogen-molecule

被引:10
作者
Wolniewicz, L
机构
[1] Institute of Physics, Nicholas Copernicus University
关键词
D O I
10.1063/1.472877
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
EF (1) Sigma(g), and I (1) Pi(g)(-) electronic states of molecular hydrogen are investigated and nonadiabatic db initio energies of lower lying vibrational levels of H-2, D-2, and T-2 are computed. The resulting term values are compared with experiment and existing theoretical results. For the I-state and the EF-state levels, with energies below -0.675 a.u., the remaining discrepancies with experiment do not exceed +/-0.5 cm(-1). The origin of the residual errors is briefly discussed. (C) 1996 American Institute of Physics.
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页码:10691 / 10695
页数:5
相关论文
共 12 条
[1]   BETHE LOGARITHM AND LAMB SHIFT FOR THE HYDROGEN MOLECULAR ION [J].
BUKOWSKI, R ;
JEZIORSKI, B ;
MOSZYNSKI, R ;
KOLOS, W .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 42 (02) :287-319
[2]   BANDS OF D2 AND T2 ORIGINATING FROM LOWEST EXCITED 1SIGMAG STATES (1SSIGMA)(2SSIGMA)1SIGMAG AND (2PSIGMA)21SIGMAG [J].
DIEKE, GH ;
CUNNINGHAM, SP .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1965, 18 (03) :288-+
[3]  
DRESSLER K, 1995, BER BUNSEN PHYS CHEM, V99, P246
[4]   MULTICHANNEL QUANTUM-DEFECT THEORY OF N=2 AND 3 GERADE STATES IN H-2 - ROVIBRONIC ENERGY-LEVELS [J].
ROSS, SC ;
JUNGEN, C .
PHYSICAL REVIEW A, 1994, 50 (06) :4618-4628
[5]   New assignments in Dieke's T-2 emission spectrum [J].
Ruckstuhl, AF ;
Dressler, K .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1996, 176 (01) :185-205
[6]  
WILNIEWICZ L, 1995, J CHEM PHYS, V103, P1792
[7]   ADIABATIC POTENTIAL CURVES AND NONADIABATIC COUPLING FUNCTIONS FOR THE 1ST 5 EXCITED 1-SIGMA-G+ STATES OF THE HYDROGEN MOLECULE [J].
WOLNIEWICZ, L ;
DRESSLER, K .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (01) :444-451
[8]   NONADIABATIC ENERGY CORRECTIONS FOR THE VIBRATIONAL LEVELS OF THE B AND B'1-SIGMA-U+ STATES OF THE H-2 AND D2 MOLECULES [J].
WOLNIEWICZ, L ;
DRESSLER, K .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (08) :6053-6064
[9]   NUMERICAL-INTEGRATION OF AN INHOMOGENEOUS BOUNDARY-VALUE PROBLEM [J].
WOLNIEWICZ, L .
JOURNAL OF COMPUTATIONAL PHYSICS, 1981, 40 (02) :440-452
[10]   THE X1-SIGMA-G+ STATE VIBRATION-ROTATIONAL ENERGIES OF THE H-2, HD, AND D2 MOLECULES [J].
WOLNIEWICZ, L .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (10) :6173-6181