Wim Klopper
Wim Klopper
Professor für Theoretische Chemie, Karlsruher Institut für Technologie
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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
21791997
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
20131998
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
9582014
Turbomole
F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014
7602014
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
6271991
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
6251999
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
4442006
Explicitly correlated electrons in molecules
C Hättig, W Klopper, A Köhn, DP Tew
Chemical reviews 112 (1), 4-74, 2012
4312012
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
3901999
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
3872007
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
3632002
Møller-Plesset calculations taking care of the correlation cusp
W Klopper, W Kutzelnigg
Chemical physics letters 134 (1), 17-22, 1987
3391987
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
3032013
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
2892000
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
2771992
New correlation factors for explicitly correlated electronic wave functions
DP Tew, W Klopper
The Journal of chemical physics 123 (7), 074101, 2005
2602005
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
2452007
Highly accurate calculations of molecular electronic structure
W Klopper, KL Bak, P Jørgensen, J Olsen, T Helgaker
Journal of Physics B: Atomic, Molecular and Optical Physics 32 (13), R103, 1999
2421999
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
2412000
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
2402004
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Artiklar 1–20