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Results: 1-10 |
Results: 10
Coupled cluster study of the triple bond
Authors: Musial, M Kucharski, SA Bartlett, RJ
Citation: M. Musial et al., Coupled cluster study of the triple bond, J MOL ST-TH, 547, 2001, pp. 269-278
Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method
Authors: Kucharski, SA Wloch, M Musial, M Bartlett, RJ
Citation: Sa. Kucharski et al., Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method, J CHEM PHYS, 115(18), 2001, pp. 8263-8266
Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF
Authors: Piecuch, P Kucharski, SA Spirko, V Kowalski, K
Citation: P. Piecuch et al., Can ordinary single-reference coupled-cluster methods describe potential energy surfaces with nearly spectroscopic accuracy? The renormalized coupled-cluster study of the vibrational spectrum of HF, J CHEM PHYS, 115(13), 2001, pp. 5796-5804
Toward the limits of predictive electronic structure theory: Connected quadruple excitations for large basis set calculations
Authors: Kucharski, SA Kolaski, M Bartlett, RJ
Citation: Sa. Kucharski et al., Toward the limits of predictive electronic structure theory: Connected quadruple excitations for large basis set calculations, J CHEM PHYS, 114(2), 2001, pp. 692-700
Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N-2? The renormalized CCSDT(Q) study
Authors: Piecuch, P Kucharski, SA Kowalski, K
Citation: P. Piecuch et al., Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N-2? The renormalized CCSDT(Q) study, CHEM P LETT, 344(1-2), 2001, pp. 176-184
T-5 operator in coupled cluster calculations
Authors: Musial, M Kucharski, SA Bartlett, RJ
Citation: M. Musial et al., T-5 operator in coupled cluster calculations, CHEM P LETT, 320(5-6), 2000, pp. 542-548
Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule
Authors: Piecuch, P Kucharski, SA Spirko, V
Citation: P. Piecuch et al., Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule, J CHEM PHYS, 111(15), 1999, pp. 6679-6692
Connected quadruples for the frequencies of O-3
Authors: Kucharski, SA Bartlett, RJ
Citation: Sa. Kucharski et Rj. Bartlett, Connected quadruples for the frequencies of O-3, J CHEM PHYS, 110(17), 1999, pp. 8233-8235
Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches
Authors: Piecuch, P Kucharski, SA Bartlett, RJ
Citation: P. Piecuch et al., Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches, J CHEM PHYS, 110(13), 1999, pp. 6103-6122
Geometry and harmonic frequency of N-2 with coupled cluster methods that include connected quadruple excitations
Authors: Kucharski, SA Watts, JD Bartlett, RJ
Citation: Sa. Kucharski et al., Geometry and harmonic frequency of N-2 with coupled cluster methods that include connected quadruple excitations, CHEM P LETT, 302(3-4), 1999, pp. 295-301
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