화학공학소재연구정보센터
검색결과 : 39건
No. Article
1 Model space incompleteness in multireference state-universal and state-selective coupled-cluster theories
Li XZ, Paldus J
Chemical Physics Letters, 496(1-3), 183, 2010
2 A Multireference Coupled-Cluster Study of Electronic Excitations in Furan and Pyrrole
Li XZ, Paldus J
Journal of Physical Chemistry A, 114(33), 8591, 2010
3 On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C-2
Li XZ, Gour JR, Paldus J, Piecuch P
Chemical Physics Letters, 461(4-6), 321, 2008
4 Reduced multireference coupled-cluster method: Barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions
Li XZ, Paldus J
Journal of Physical Chemistry A, 111(44), 11189, 2007
5 Singlet-triplet separation in BN and C-2: Simple yet exceptional systems for advanced correlated methods
Li XZ, Paldus J
Chemical Physics Letters, 431(1-3), 179, 2006
6 Performance of the general-model-space state-universal coupled-cluster method
Li XZ, Paldus J
Journal of Chemical Physics, 120(13), 5890, 2004
7 An accurate determination of rovibrational spectra using the externally corrected coupled-cluster approaches: LiH ground state
Li XZ, Paldus J
Journal of Chemical Physics, 118(6), 2470, 2003
8 Analysis of the multireference state-universal coupled-cluster Ansatz
Paldus J, Li XZ
Journal of Chemical Physics, 118(15), 6769, 2003
9 General-model-space state-universal coupled-cluster theory: Connectivity conditions and explicit equations
Li XZ, Paldus J
Journal of Chemical Physics, 119(11), 5320, 2003
10 N-reference, M-state coupled-cluster method: Merging the state-universal and reduced multireference coupled-cluster theories
Li XZ, Paldus J
Journal of Chemical Physics, 119(11), 5334, 2003