Multi-reference calculations of the photodissociation of HSCH3 molecule

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2008 Chin. Phys. Soc. and IOP Publishing Ltd
, , Citation Yan Bing and Pan Shou-Fu 2008 Chinese Phys. B 17 1501 DOI 10.1088/1674-1056/17/4/058

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pansfjlu@yahoo.com.cn

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1 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China

Dates

  1. Received 10 June 2007
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1674-1056/17/4/1501

Abstract

This paper performs multi-reference second-order perturbation theory calculations on the ground state and a number of low-lying excited states of HSCH3 molecule, and calculates the vertical excitation energies and low-energy potential-energy curves, based on which the photodissociation channels of HSCH3 at 193,222,248 nm are clarified.

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