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 | 2736 | 1997 |
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 | 2327 | 1998 |
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 | 1449 | 2014 |
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 | 787 | 2007 |
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 | 745 | 1999 |
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 | 671 | 1991 |
Explicitly correlated electrons in molecules C Hattig, W Klopper, A Kohn, DP Tew Chemical reviews 112 (1), 4-74, 2012 | 566 | 2012 |
Turbomole F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014 | 552 | 2014 |
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 | 490 | 2006 |
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 | 437 | 1999 |
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 | 401 | 2002 |
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 | 383 | 2013 |
Møller-Plesset calculations taking care of the correlation cusp W Klopper, W Kutzelnigg Chemical Physics Letters 134 (1), 17-22, 1987 | 372 | 1987 |
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 | 311 | 2000 |
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 | 296 | 1992 |
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 | 292 | 2007 |
New correlation factors for explicitly correlated electronic wave functions DP Tew, W Klopper The Journal of chemical physics 123 (7), 2005 | 287 | 2005 |
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), 2006 | 286 | 2006 |
Quantitative quantum chemistry T Helgaker, W Klopper, DP Tew Molecular Physics 106 (16-18), 2107-2143, 2008 | 280 | 2008 |
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 | 268 | 2004 |