화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Multireference coupled cluster based analytic response approach for evaluating molecular properties: Some pilot results
Ajitha D, Vaval N, Pal S
Journal of Chemical Physics, 110(5), 2316, 1999
2 Single-root multireference Brillouin-Wigner coupled-cluster theory : Applicability to the F-2 molecule
Masik J, Hubac I, Mach P
Journal of Chemical Physics, 108(16), 6571, 1998
3 On the Singlet-Triplet Separation in Methylene - A Critical Comparison of Single-Versus 2-Determinant (Generalized Valence-Bond) Coupled-Cluster Theory
Balkova A, Bartlett RJ
Journal of Chemical Physics, 102(18), 7116, 1995
4 Property Evaluation Using the 2-Reference State-Universal Coupled-Cluster Method
Piecuch P, Paldus J
Journal of Physical Chemistry, 99(42), 15354, 1995
5 Orthogonally Spin-Adapted State-Universal Coupled-Cluster Formalism - Implementation of the Complete 2-Reference Theory Including Cubic and Quartic Coupling Terms
Piecuch P, Paldus J
Journal of Chemical Physics, 101(7), 5875, 1994
6 A Multireference Coupled-Cluster Study of the Ground-State and Lowest Excited-States of Cyclobutadiene
Balkova A, Bartlett RJ
Journal of Chemical Physics, 101(10), 8972, 1994