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Excited state geometry optimisation using Fock-space multi-reference coupled cluster method

โœ Scribed by Dutta, Achintya Kumar; Bhattacharya, Sumantra

Book ID
123615364
Publisher
Taylor and Francis Group
Year
2014
Tongue
English
Weight
139 KB
Volume
112
Category
Article
ISSN
0026-8976

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The singlet and triplet excitation energies are investigated by the Fock space multi-reference coupled-cluster method. A procedure for evaluating dipole transition moments and oscillator strengths is also presented and applied. Good agreement is achieved for excitation energies and transition moment