Effect of three-body transformed Hamiltonian ( $$\tilde{H} _3 $$ H ~ 3 ) using full connected triple excitation coupled cluster operators on valence ionisation potentials of $$\hbox {Cl}_{2}$$ Cl 2 and $$\hbox {F}_{2}$$ F 2 computed via EIP-VUMRCCSD $$\uptau $$ τ scheme-Reference-Cited by-同舟云学术

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Effect of three-body transformed Hamiltonian ( $$\tilde{H} _3 $$ H ~ 3 ) using full connected triple excitation coupled cluster operators on valence ionisation potentials of $$\hbox {Cl}_{2}$$ Cl 2 and $$\hbox {F}_{2}$$ F 2 computed via EIP-VUMRCCSD $$\uptau $$ τ scheme

Published:2018-02-13 Issue:3 Volume:90 Page:
ISSN:0304-4289
Container-title:Pramana
language:en
Short-container-title:Pramana - J Phys

Author:

Adhikari Kalipada

Publisher

Springer Science and Business Media LLC

Subject

General Physics and Astronomy

Link

http://link.springer.com/article/10.1007/s12043-018-1523-3/fulltext.html

Reference40 articles.

1. C E Smith, R A King, T D Crawford, J. Chem. Phys. 122, 054110 (2005)

2. P H P Harbach, M Wormit and A Dreuw, J. Chem. Phys. 141, 064113 (2014)

3. A Dreuw and M Wormit, WIREs Comput. Mol. Sci. 5, 82 (2015)

4. S Chattopadhyay, R K Chaudhuri and U Sinha, J. Comput. Chem. 36, 907 (2015)

5. W Kutzelnigg, Int. J. Quantum Chem. 109, 3858 (2009)

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