화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 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
2 Global warming revisited
Bernholdt DE
Chemical & Engineering News, 77(14), 4, 1999
3 Fitting basis sets for the RI-MP2 approximate second-order many-body perturbation theory method
Bernholdt DE, Harrison RJ
Journal of Chemical Physics, 109(5), 1593, 1998
4 The Structure and Binding-Energy of K+-Ether Complexes - A Comparison of Mp2, Ri-Mp2, and Density-Functional Methods
Feller D, Apra E, Nichols JA, Bernholdt DE
Journal of Chemical Physics, 105(5), 1940, 1996
5 Orbital-Invariant 2nd-Order Many-Body Perturbation-Theory on Parallel Computers - An Approach for Large Molecules
Bernholdt DE, Harrison RJ
Journal of Chemical Physics, 102(24), 9582, 1995