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Wim Klopper
Wim Klopper
Professor für Theoretische Chemie, Karlsruher Institut für Technologie
Bestätigte E-Mail-Adresse bei kit.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Basis-set convergence of correlated calculations on water
T Helgaker, W Klopper, H Koch, J Noga
The Journal of chemical physics 106 (23), 9639-9646, 1997
24221997
Basis-set convergence in correlated calculations on Ne, N2, and H2O
A Halkier, T Helgaker, P Jørgensen, W Klopper, H Koch, J Olsen, ...
Chemical Physics Letters 286 (3-4), 243-252, 1998
21631998
The D alton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
11782014
Turbomole
F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014
9242014
Basis-set convergence of the energy in molecular Hartree–Fock calculations
A Halkier, T Helgaker, P Jørgensen, W Klopper, J Olsen
Chemical Physics Letters 302 (5-6), 437-446, 1999
6811999
Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theory
W Kutzelnigg, W Klopper
The Journal of chemical physics 94 (3), 1985-2001, 1991
6581991
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn
A Hellweg, C Hättig, S Höfener, W Klopper
Theoretical Chemistry Accounts 117 (4), 587-597, 2007
5452007
Explicitly correlated electrons in molecules
C Hattig, W Klopper, A Kohn, DP Tew
Chemical reviews 112 (1), 4-74, 2012
4982012
R12 methods in explicitly correlated molecular electronic structure theory
W Klopper, FR Manby, S Ten-No, EF Valeev
International Reviews in Physical Chemistry 25 (3), 427-468, 2006
4652006
Basis set convergence of the interaction energy of hydrogen-bonded complexes
A Halkier, W Klopper, T Helgaker, P Jo/rgensen, PR Taylor
The Journal of chemical physics 111 (20), 9157-9167, 1999
4071999
Explicitly correlated second-order Møller–Plesset methods with auxiliary basis sets
W Klopper, CCM Samson
The Journal of chemical physics 116 (15), 6397-6410, 2002
3752002
Møller-Plesset calculations taking care of the correlation cusp
W Klopper, W Kutzelnigg
Chemical physics letters 134 (1), 17-22, 1987
3531987
Synthesis, structure, and characterization of dinuclear copper (I) halide complexes with P^ N ligands featuring exciting photoluminescence properties
DM Zink, M Bächle, T Baumann, M Nieger, M Kühn, C Wang, ...
Inorganic chemistry 52 (5), 2292-2305, 2013
3312013
Computational determination of equilibrium geometry and dissociation energy of the water dimer
W Klopper, J Van Duijneveldt-Van De Rijdt, FB Van Duijneveldt
Physical Chemistry Chemical Physics 2 (10), 2227-2234, 2000
2962000
CC-R12, a correlation cusp corrected coupled-cluster method with a pilot application to the Be2 potential curve
J Noga, W Kutzelnigg, W Klopper
Chemical physics letters 199 (5), 497-504, 1992
2821992
New correlation factors for explicitly correlated electronic wave functions
DP Tew, W Klopper
The Journal of chemical physics 123 (7), 074101, 2005
2722005
Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets
DP Tew, W Klopper, C Neiss, C Hättig
Physical Chemistry Chemical Physics 9 (16), 1921-1930, 2007
2622007
A priori calculation of molecular properties to chemical accuracy
T Helgaker, TA Ruden, P Jørgensen, J Olsen, W Klopper
Journal of Physical Organic Chemistry 17 (11), 913-933, 2004
2512004
Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations
KL Bak, P Jørgensen, J Olsen, T Helgaker, W Klopper
The Journal of Chemical Physics 112 (21), 9229-9242, 2000
2502000
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
M Heckert, M Kállay, DP Tew, W Klopper, J Gauss
The Journal of chemical physics 125 (4), 044108, 2006
2472006
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