검색결과 : 41건
| No. | Article |
|---|---|
| 1 |
Configurational coupled cluster approach with applications to magnetic model systems Wu SY, Nooijen M Chemical Physics Letters, 700, 64, 2018 |
| 2 |
Raman Vibrational Shifts of Small Clusters of Hydrogen lsotopologues Schmidt M, Fernandez JM, Faruk N, Nooijen M, Le Roy RJ, Morilla JH, Tejeda G, Montero S, Roy PN Journal of Physical Chemistry A, 119(50), 12551, 2015 |
| 3 |
Performance Optimization of Tensor Contraction Expressions for Many-Body Methods in Quantum Chemistry Hartono A, Lu QD, Henretty T, Krishnamoorthy S, Zhang HJ, Baumgartner G, Bernholdt DE, Nooijen M, Pitzer R, Ramanujam J, Sadayappan P Journal of Physical Chemistry A, 113(45), 12715, 2009 |
| 4 |
Application of Double Ionization State-Specific Equation of Motion Coupled Cluster Method to Organic Diradicals Demel O, Shamasundar KR, Kong L, Nooijen M Journal of Physical Chemistry A, 112(46), 11895, 2008 |
| 5 |
Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculations Neugebauer J, Baerends EJ, Nooijen M Journal of Physical Chemistry A, 109(6), 1168, 2005 |
| 6 |
First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach Hazra A, Chang HH, Nooijen M Journal of Chemical Physics, 121(5), 2125, 2004 |
| 7 |
Vibronic coupling and double excitations in linear response time-dependent density functional calculations: Dipole-allowed states of N-2 Neugebauer J, Baerends EJ, Nooijen M Journal of Chemical Physics, 121(13), 6155, 2004 |
| 8 |
Combined coupled-cluster and many-body perturbation theories Hirata S, Fan PD, Auer AA, Nooijen M, Piecuch P Journal of Chemical Physics, 121(24), 12197, 2004 |
| 9 |
Cumulant approach to the direct calculation of reduced density matrices: A critical analysis Nooijen M, Wladyslawski M, Hazra A Journal of Chemical Physics, 118(11), 4832, 2003 |
| 10 |
Critical comparison of single-reference and multireference coupled-cluster methods: Geometry, harmonic frequencies, and excitation energies of N2O2 Tobita M, Perera SA, Musial M, Bartlett RJ, Nooijen M, Lee JS Journal of Chemical Physics, 119(20), 10713, 2003 |