화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Selective correlation scheme within diffusion quantum Monte Carlo
Schautz F, Flad HJ
Journal of Chemical Physics, 116(17), 7389, 2002
2 Wavelet approximation of correlated wave functions. I. Basics
Flad HJ, Hackbusch W, Kolb D, Schneider R
Journal of Chemical Physics, 116(22), 9641, 2002
3 Wavelet approximation of correlated wave functions. II. Hyperbolic wavelets and adaptive approximation schemes
Luo HJ, Kolb D, Flad HJ, Hackbusch W, Koprucki T
Journal of Chemical Physics, 117(8), 3625, 2002
4 Response to "Comment on 'Quantum Monte Carlo study of the dipole moment of CO' " [J. Chem. Phys. 112, 4419 (2000)]
Schautz F, Flad HJ
Journal of Chemical Physics, 112(9), 4421, 2000
5 Ab initio study of structure and bonding of strontium clusters
Wang YX, Flad HJ, Dolg M
Journal of Physical Chemistry A, 104(23), 5558, 2000
6 Quantum Monte Carlo study of the dipole moment of CO
Schautz F, Flad HJ
Journal of Chemical Physics, 110(24), 11700, 1999
7 On the importance of 5d orbitals for covalent bonding in ytterbium clusters
Wang YX, Schautz F, Flad HJ, Dolg M
Journal of Physical Chemistry A, 103(26), 5091, 1999
8 Probing the accuracy of pseudopotentials for transition metals in quantum Monte Carlo calculations
Flad HJ, Dolg M
Journal of Chemical Physics, 107(19), 7951, 1997
9 Generation and Characterization of Diphosphene and Triphosphene Radical-Anions - Computational Studies on the Structure and Stability of P3H3-Center-Dot--
Binder H, Riegel B, Heckmann G, Moscherosch M, Kaim W, Vonschnering HG, Honle W, Flad HJ, Savin A
Inorganic Chemistry, 35(7), 2119, 1996
10 Ground-State Properties of Hg-2 .1. A Pseudopotential Configuration-Interaction Study
Dolg M, Flad HJ
Journal of Physical Chemistry, 100(15), 6147, 1996