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Volumn , Issue , 2005, Pages 1191-1221

How and why coupled-cluster theory became the pre-eminent method in an ab into quantum chemistry

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EID: 84885145606     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1016/B978-044451719-7/50085-8     Document Type: Chapter
Times cited : (61)

References (217)
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  • 6
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    • Special Issue on Benchmark Results in Quantum Chemistry
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    • (1994) Rev. Comput. Chem. , vol.5 , pp. 65-169
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    • Towards state-specific formulation of multireference coupled-cluster theory: Coupled electron pair approximations (CEPA) leading to multireference configuration interaction (MR-CI) type equations
    • World Scientific, Amsterdam, R.J. Bartlett (Ed.)
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    • Private communication
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    • Schaefer H.F. Private communication. At the St Simons meeting 2004, Fritz Schaefer tells the story that he and John Pople were in Australia discussing the prospects for CCSD, when John remarked that he thought it would be almost impossible to do, when our paper appeared.
    • (2004) At the St Simons meeting
    • Schaefer, H.F.1
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    • Anaytical evaluation of gradients in coupled-cluster and many-body perturbation theory
    • Reidel, Richland, WA, USA, P. Jørgensen, J. Simons (Eds.)
    • Bartlett R.J. Anaytical evaluation of gradients in coupled-cluster and many-body perturbation theory. Geometrical derivatives of energy surfaces and molecular properties 1986, 35-61. Reidel, Richland, WA, USA. P. Jørgensen, J. Simons (Eds.).
    • (1986) Geometrical derivatives of energy surfaces and molecular properties , pp. 35-61
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    • SAC-CI method: theoretical aspects and some recent topics
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    • (1997) Computational Chemistry (Review of Current Trends) , vol.2
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    • (1998) Encyclopedia of computational chemistry , vol.3
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    • Coll. Czech Chem. Comm., in press
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    • Taube, A.1    Bartlett R.J2


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