화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Diagrammatic complete active space perturbation theory: Calculations on benzene, N-2, and LiF
Finley JP, Witek HA
Journal of Chemical Physics, 112(9), 3958, 2000
2 Multireference perturbation theory with flexible energy denominators
Finley JP
Journal of Chemical Physics, 109(18), 7725, 1998
3 Comparison of the Perturbative Convergence with Multireference Moller-Plesset, Epstein-Nesbet, Forced Degenerate and Optimized Zeroth Order Partitionings - The Excited Beh2 Surface
Chaudhuri RK, Finley JP, Freed KF
Journal of Chemical Physics, 106(10), 4067, 1997
4 Ab-Initio Computation of Semiempirical Pi-Electron Methods .5. Geometry Dependence of H-Nu Pi-Electron Effective Integrals
Martin CH, Freed KF
Journal of Chemical Physics, 105(4), 1437, 1996
5 An Adiabatic Model for the Photodissociation of Ch3Sh in the First Ultraviolet-Absorption Band
Stevens JE, Jang HW, Butler LJ, Light JC
Journal of Chemical Physics, 102(18), 7059, 1995
6 Perturbative and Complete Model Space Linked Diagrammatic Expansions for the Canonical Effective Operator
Hurtubise V, Freed KF
Journal of Chemical Physics, 100(7), 4955, 1994
7 Ab-Initio Computation of Semiempirical Pi-Electron Methods .1. Constrained, Transferable Valence Spaces in H-V Calculations
Martin CH, Freed KF
Journal of Chemical Physics, 100(10), 7454, 1994
8 Ab-Initio Computation of Semiempirical Pi-Electron Methods .2. Transferability of H-Nu Parameters Between Ethylene, Trans-Butadiene, and Cyclobutadiene
Martin CH, Freed KF
Journal of Chemical Physics, 101(5), 4011, 1994
9 Ab-Initio Computation of Semiempirical Pi-Electron Methods .3. The Benzene Molecule, the Zero-Differential-Overlap Approximation, and the Transferability of Parameters
Martin CH, Freed KF
Journal of Chemical Physics, 101(7), 5929, 1994