A theoretical study of the photoelectron spectra of dichloroketene with accurate computation of ionization energies via complete basis set limit extrapolation-Reference-Cited by-同舟云学术

A theoretical study of the photoelectron spectra of dichloroketene with accurate computation of ionization energies via complete basis set limit extrapolation

Published:2018-12-07 Issue:8 Volume:119 Page:e25866
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Chang Jia‐Lin¹^ORCID,Hsieh Jung‐Hang¹,Huang Yun‐Jhu¹,Chen Chiing‐Chang¹,Chang Mu‐Fong²

Affiliation:

1. Department of Science Education and ApplicationNational Taichung University of Education Taichung Taiwan, Republic of China

2. Department of Computer ScienceNational Chiao Tung University Hsinchu Taiwan, Republic of China

Funder

Ministry of Science and Technology

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25866

Reference57 articles.

1. A new formula to calculate Franck–Condon factors for displaced and distorted harmonic oscillators

2. Ab initio calculations of excited states of vinyl bromide

3. A new method to calculate Franck–Condon factors of multidimensional harmonic oscillators including the Duschinsky effect

4. A general formula of two-dimensional Franck–Condon integral and the photoelectron spectroscopy of sulfur dioxide

5. Theoretical calculations of C2v excited states of SO2+

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