A state-specific multi-reference coupled-cluster approach with a cost-effective treatment of connected triples: implementation to geometry optimisation-Reference-Cited by-同舟云学术

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A state-specific multi-reference coupled-cluster approach with a cost-effective treatment of connected triples: implementation to geometry optimisation

Published:2016-02-05 Issue:10 Volume:114 Page:1591-1608
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Banerjee Debi¹,Mondal Monosij²,Chattopadhyay Sudip²,Mahapatra Uttam Sinha³

Affiliation:

1. Department of Physics, Shibpur Dinobundhoo Institution (College), Howrah, India

2. Department of Chemistry, Indian Institute of Engineering Science and Technology, Shibpur, Howrah, India

3. Department of Physics, Maulana Azad College, Kolkata, India

Funder

Department of Science and Technology, India

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2016.1142126

Reference179 articles.

1. Coupled Cluster Theory

2. E. Prochnow, M.E. Harding, and J. Gauss, J. Chem. Theory Comput. 6, 2339 (2010)

3. O. Demel, J. Pittner, and F. Neese, J. Chem. Theory Comput. 11, 3104 (2015).

4. B. Jeziorski and H.J. Monkhorst, Phys. Rev. A 24, 1668 (1981).

5. B. Jeziorski and J. Paldus, J. Chem. Phys. 90, 2714 (1989)

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