Spectroscopic investigations on AlH(X1Σ+) radical using multireference configuration interaction theory in combination with correlation-consistent quintuple basis set augmented with diffuse functions

International Journal of Quantum Chemistry

Volumn 111, Issue 3, 2011, Pages 554-562

  Shi, De Heng ^a   Liu, Hui ^b   Zhang, Xiao Niu ^a   Sun, Jin Feng ^a   Liu, Yu Fang ^a   Zhu, Zun Lue ^a  

^a HENAN NORMAL UNIVERSITY   (China)

^b XINYANG NORMAL UNIVERSITY   (China)

Author keywords

centrifugal distortion constant; classical turning point; inertial rotation constant; spectroscopic parameter; vibrational level

Indexed keywords

CENTRIFUGAL DISTORTION CONSTANTS; CLASSICAL TURNING POINT; INERTIAL ROTATION CONSTANT; SPECTROSCOPIC PARAMETERS; VIBRATIONAL LEVELS;

BAND STRUCTURE; CENTRIFUGATION; EQUATIONS OF MOTION; GROUND STATE; POTENTIAL ENERGY; QUANTUM THEORY;

ROTATION;

EID: 78649902584     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22433     Document Type: Article

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