화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Gradients for the partitioned equation-of-motion coupled-cluster method
Gwaltney SR, Bartlett RJ
Journal of Chemical Physics, 110(1), 62, 1999
2 Static and frequency-dependent polarizabilities of excited singlet states using coupled cluster response theory
Hattig C, Christiansen O, Coriani S, Jorgensen P
Journal of Chemical Physics, 109(21), 9237, 1998
3 Molecular Quadrupole-Moment Functions of HF and N-2 .1. Ab-Initio Linear-Response Coupled-Cluster Results
Piecuch P, Kondo AE, Spirko V, Paldus J
Journal of Chemical Physics, 104(12), 4699, 1996
4 Orthogonally Spin-Adapted Single-Reference Coupled-Cluster Formalism - Linear-Response Calculation of Higher-Order Static Properties
Kondo AE, Piecuch P, Paldus J
Journal of Chemical Physics, 104(21), 8566, 1996
5 Electronic States of Ketene
Szalay PG, Csaszar AG, Nemes L
Journal of Chemical Physics, 105(3), 1034, 1996
6 Structure and Spectra of the Thioketenyl (Hccs) Radical in Its Ground and First Excited-States Obtained by Ab-Initio Coupled-Cluster Methods
Szalay PG
Journal of Chemical Physics, 105(7), 2735, 1996
7 Multireference Self-Consistent Size-Extensive State-Selective Configuration-Interaction
Adamowicz L, Malrieu JP
Journal of Chemical Physics, 105(20), 9240, 1996
8 Gauge-Invariant Calculation of Nuclear Magnetic Shielding Constants at the Coupled-Cluster Singles and Doubles Level
Gauss J, Stanton JF
Journal of Chemical Physics, 102(1), 251, 1995
9 Orthogonally Spin-Adapted Single-Reference Coupled-Cluster Formalism - Linear-Response Calculation of Static Properties
Kondo AE, Piecuch P, Paldus J
Journal of Chemical Physics, 102(16), 6511, 1995
10 Coupled-Cluster Calculations of Nuclear-Magnetic-Resonance Chemical-Shifts
Gauss J, Stanton JF
Journal of Chemical Physics, 103(9), 3561, 1995