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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 4
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Original Articles

Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest π-π* singlet and triplet energies and the first ionization potential of trans-butadiene

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Pages 955-969 | Received 02 Aug 1976, Published online: 22 Aug 2006

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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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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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Bogumil Jeziorski. (2010) Multireference coupled-cluster Ansatz. Molecular Physics 108:21-23, pages 3043-3054.
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Leszek Z. Stolarczyk & Hendrik J. Monkhorst. (2010) Quasiparticle Fock-space coupled-cluster theory. Molecular Physics 108:21-23, pages 3067-3089.
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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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Alexander A. Auer, Gerald Baumgartner, David E. Bernholdt, Alina Bibireata, Venkatesh Choppella, Daniel Cociorva, Xiaoyang Gao, Robert Harrison, Sriram Krishnamoorthy, Sandhya Krishnan, Chi-Chung Lam, Qingda Lu, Marcel Nooijen, Russell Pitzer, J. Ramanujam, P. Sadayappan & Alexander Sibiryakov. (2006) Automatic code generation for many-body electronic structure methods: the tensor contraction engine‡‡ . Molecular Physics 104:2, pages 211-228.
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KAROL JANKOWSKI & KRZYSZTOF RUBINIEC. (2002) Brueckner-type reference determinants in applications of coupled cluster methods to excited states. Molecular Physics 100:11, pages 1741-1754.
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NATHALIE GUIHERY, JEAN-PAUL MALRIEU, DANIEL MAYNAU & PETER WIND. (1998) A statistical multireference state-specific dressing of configuration interaction matrices: application to Heisenberg Hamiltonians. Molecular Physics 94:1, pages 209-216.
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