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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 94, 1998 - Issue 1
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Original Articles

A state-specific multi-reference coupled cluster formalism with molecular applications

Pages 157-171 | Published online: 06 Dec 2010

Keep up to date with the latest research on this topic with citation updates for this article.

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Dibyajyoti Chakravarti, Sangita Sen & Debashis Mukherjee. (2021) Reappraisal of the normal ordered Jeziorski-Monkhorst ansatz in the UGA-OSCC theory for a study of IP, EA and EE. Molecular Physics 119:21-22.
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Shovan Manna, Suvonil Sinha Ray, Pradipta Ghosh & Sudip Chattopadhyay. (2020) Structural properties and isomerisation of simple S-nitrosothiols: ab initio studies with a simplified treatment of correlation effects. Molecular Physics 118:5.
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Debi Banerjee, Monosij Mondal, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2016) A state-specific multi-reference coupled-cluster approach with a cost-effective treatment of connected triples: implementation to geometry optimisation. Molecular Physics 114:10, pages 1591-1608.
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Sudip Chattopadhyay, Uttam Sinha Mahapatra & Rajat K. Chaudhuri. (2014) Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations. Molecular Physics 112:20, pages 2720-2736.
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Sangita Sen, Avijit Shee & Debashis Mukherjee. (2013) A study of the ionisation and excitation energies of core electrons using a unitary group adapted state universal approach. Molecular Physics 111:16-17, pages 2625-2639.
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Jean-Paul Malrieu. (2013) Proposal of multi-root multi-reference coupled cluster formalisms. Molecular Physics 111:16-17, pages 2451-2462.
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Rodney J. Bartlett. (2010) The coupled-cluster revolution. Molecular Physics 108:21-23, pages 2905-2920.
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Bogumil Jeziorski. (2010) Multireference coupled-cluster Ansatz. Molecular Physics 108:21-23, pages 3043-3054.
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Péter G. Szalay. (2010) On our efforts constructing a proper multireference coupled-cluster method. Molecular Physics 108:21-23, pages 3055-3065.
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Anna Engels-Putzka & Michael Hanrath. (2009) Dissociating N2: a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states. Molecular Physics 107:2, pages 143-155.
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Michael Hanrath. (2008) Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF. Molecular Physics 106:15, pages 1949-1957.
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Marta W. Łoch, Maricris D. Lodriguito, Piotr Piecuch & Jeffrey R. Gour. (2006) Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations. Molecular Physics 104:13-14, pages 2149-2172.
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Piotr Piecuch, Karol Kowalski, Ian S.O. Pimienta & MichaelJ. Mcguire. (2002) Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches. International Reviews in Physical Chemistry 21:4, pages 527-655.
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