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Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.
Banik S, Ravichandran L, Brabec J, Hubač I, Kowalski K, Pittner J. Banik S, et al. Among authors: kowalski k. J Chem Phys. 2015 Mar 21;142(11):114106. doi: 10.1063/1.4914311. J Chem Phys. 2015. PMID: 25796230
As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011); J. Brabec et al., ibid. 136, 124102 (2012)], we suggest an iterative form of the USS correction by means o …
As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J …
Extensive generalization of renormalized coupled-cluster methods.
Kowalski K, Piecuch P. Kowalski K, et al. J Chem Phys. 2005 Feb 15;122(7):074107. doi: 10.1063/1.1848093. J Chem Phys. 2005. PMID: 15743221
The recently developed completely renormalized (CR) coupled-cluster (CC) methods with singles, doubles, and noniterative triples or triples and quadruples [CR-CCSD(T) or CR-CCSD(TQ), respectively], which are based on the method of moments of CC equations (MMCC) [K. Kowa …
The recently developed completely renormalized (CR) coupled-cluster (CC) methods with singles, doubles, and noniterative triples or triples …
Comparison of low-order multireference many-body perturbation theories.
Chaudhuri RK, Freed KF, Hose G, Piecuch P, Kowalski K, Włoch M, Chattopadhyay S, Mukherjee D, Rolik Z, Szabados A, Tóth G, Surján PR. Chaudhuri RK, et al. Among authors: kowalski k. J Chem Phys. 2005 Apr 1;122(13):134105. doi: 10.1063/1.1863912. J Chem Phys. 2005. PMID: 15847453
Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function.
Kowalski K. Kowalski K. J Chem Phys. 2005 Jul 1;123(1):014102. doi: 10.1063/1.1944723. J Chem Phys. 2005. PMID: 16035828
Deeply rooted in the recently derived numerator-denominator-connected (NDC) expansion for the ground-state energy [K. Kowalski and P. Piecuch, J. Chem. Phys. 122, 074107 (2005)], LR-CCSD(T) approximations use, in analogy to the completely renormalized CCSD(T) (CR-CC …
Deeply rooted in the recently derived numerator-denominator-connected (NDC) expansion for the ground-state energy [K. Kowalski …
Excitation energies through the locally renormalized equation-of-motion formalism: singles and doubles model.
Kowalski K. Kowalski K. J Chem Phys. 2006 Sep 28;125(12):124101. doi: 10.1063/1.2355491. J Chem Phys. 2006. PMID: 17014160
The stationary conditions obtained from approximate coupled-cluster functional derived from the numerator-denominator connected expansion (NDC) [K. Kowalski and P. Piecuch, J. Chem. Phys. 122, 074107 (2005)] are employed to calculate the linear response of cluster a …
The stationary conditions obtained from approximate coupled-cluster functional derived from the numerator-denominator connected expansion (N …
Generating functionals based formulation of the method of moments of coupled cluster equations.
Kowalski K, Fan PD. Kowalski K, et al. J Chem Phys. 2009 Feb 28;130(8):084112. doi: 10.1063/1.3076138. J Chem Phys. 2009. PMID: 19256602
New theoretical framework for the method of moments of coupled cluster equations (MMCC) [K. Kowalski and P. Piecuch, J. Chem. Phys. 113, 18 (2000)] that, in a natural way, assures the connected form of the resulting MMCC corrections is discussed. ...
New theoretical framework for the method of moments of coupled cluster equations (MMCC) [K. Kowalski and P. Piecuch, J. Chem. …
622 results