Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
作者： Piotr Piecuch , Stanisław A. Kucharski , Karol Kowalski , Monika Musiał
DOI: 10.1016/S0010-4655(02)00598-2
关键词: Mathematics 、 Set (abstract data type) 、 Coupled cluster 、 Matrix multiplication 、 Renormalization 、 Combinatorics 、 Electronic structure 、 GAMESS 、 Calculation methods
摘要: … renormalized and completely renormalized CCSD[T] and CCSD(T) calculations give the results which are almost identical to those obtained with the standard CCSD[T] and CCSD(T) …
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Piotr Piecuch, Josef Paldus, Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation International Journal of Quantum Chemistry. ,vol. 36, pp. 429- 453 ,(1989) , 10.1002/QUA.560360402
Jiří Čížek, On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods Journal of Chemical Physics. ,vol. 45, pp. 4256- 4266 ,(1966) , 10.1063/1.1727484
Stanislaw A. Kucharski, Rodney J. Bartlett, The coupled‐cluster single, double, triple, and quadruple excitation method Journal of Chemical Physics. ,vol. 97, pp. 4282- 4288 ,(1992) , 10.1063/1.463930
Anna I. Krylov, C. David Sherrill, Perturbative corrections to the equation-of-motion spin–flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals The Journal of Chemical Physics. ,vol. 116, pp. 3194- 3203 ,(2002) , 10.1063/1.1445116
Piotr Piecuch, Karol Kowalski, Ian Pimienta, Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions International Journal of Molecular Sciences. ,vol. 3, pp. 475- 497 ,(2002) , 10.3390/I3050475
J. Paldus, B. G. Adams, J. ?�?ek, Application of graphical methods of spin algebras to limited CI approaches. I. Closed shell case International Journal of Quantum Chemistry. ,vol. 11, pp. 813- 848 ,(1977) , 10.1002/QUA.560110511
C. David Sherrill, Anna I. Krylov, Edward F. C. Byrd, Martin Head-Gordon, Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+ Journal of Chemical Physics. ,vol. 109, pp. 4171- 4181 ,(1998) , 10.1063/1.477023
Xiangzhu Li, Josef Paldus, Reduced multireference coupled cluster method IV: open-shell systems Molecular Physics. ,vol. 98, pp. 1185- 1199 ,(2000) , 10.1080/00268970050080546
R J Bartlett, Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules Annual Review of Physical Chemistry. ,vol. 32, pp. 359- 401 ,(1981) , 10.1146/ANNUREV.PC.32.100181.002043
Ragnar Rydberg, Graphische Darstellung einiger bandenspektroskopischer Ergebnisse European Physical Journal. ,vol. 73, pp. 376- 385 ,(1932) , 10.1007/BF01341146