| Explicitly correlated R12/F12 methods for electronic structure L Kong, FA Bischoff, EF Valeev Chemical reviews 112 (1), 75-107, 2012 | 527 | 2012 |
| The MP2‐F12 method in the TURBOMOLE program package RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew Journal of Computational Chemistry 32 (11), 2492-2513, 2011 | 117 | 2011 |
| MADNESS: A multiresolution, adaptive numerical environment for scientific simulation RJ Harrison, G Beylkin, FA Bischoff, JA Calvin, GI Fann, J Fosso-Tande, ... SIAM journal on scientific computing 38 (5), S123-S142, 2016 | 115 | 2016 |
| Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory W Klopper, B Ruscic, DP Tew, FA Bischoff, S Wolfsegger Chemical Physics 356 (1-3), 14-24, 2009 | 111 | 2009 |
| Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions RA Bachorz, FA Bischoff, S Höfener, W Klopper, P Ottiger, R Leist, JA Frey, ... Physical Chemistry Chemical Physics 10 (19), 2758-2766, 2008 | 104 | 2008 |
| Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods FA Bischoff, S Wolfsegger, DP Tew, W Klopper Molecular Physics 107 (8-12), 963-975, 2009 | 93 | 2009 |
| Low-order tensor approximations for electronic wave functions: Hartree–Fock method with guaranteed precision FA Bischoff, EF Valeev The Journal of chemical physics 134 (10), 2011 | 56 | 2011 |
| Computing many-body wave functions with guaranteed precision: The first-order Møller-Plesset wave function for the ground state of helium atom FA Bischoff, RJ Harrison, EF Valeev The Journal of chemical physics 137 (10), 2012 | 53 | 2012 |
| Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements S Höfener, FA Bischoff, A Glöß, W Klopper Physical Chemistry Chemical Physics 10 (23), 3390-3399, 2008 | 49 | 2008 |
| Computing molecular correlation energies with guaranteed precision FA Bischoff, EF Valeev The Journal of chemical physics 139 (11), 2013 | 44 | 2013 |
| Dissociative Water Adsorption by Al3O4+ in the Gas Phase MR Fagiani, X Song, S Debnath, S Gewinner, W Schöllkopf, KR Asmis, ... The Journal of Physical Chemistry Letters 8 (6), 1272-1277, 2017 | 39 | 2017 |
| Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements FA Bischoff, S Höfener, A Glöß, W Klopper Theoretical Chemistry Accounts 121 (1), 11-19, 2008 | 39 | 2008 |
| Chemically accurate adsorption energies for methane and ethane monolayers on the MgO (001) surface M Alessio, FA Bischoff, J Sauer Physical Chemistry Chemical Physics 20 (15), 9760-9769, 2018 | 32 | 2018 |
| Second-order electron-correlation and self-consistent spin-orbit treatment of heavy molecules at the basis-set limit FA Bischoff, W Klopper The Journal of chemical physics 132 (9), 2010 | 31 | 2010 |
| Reactivity of titanium dimer and molecular nitrogen in rare gas matrices. Vibrational and electronic spectra and structure of Ti 2 N 2 HJ Himmel, O Hübner, FA Bischoff, W Klopper, L Manceron Physical Chemistry Chemical Physics 8 (17), 2000-2011, 2006 | 30 | 2006 |
| Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation JS Kottmann, S Höfener, FA Bischoff Physical Chemistry Chemical Physics 17 (47), 31453-31462, 2015 | 27 | 2015 |
| Temperature-and structure-dependent optical properties and Photophysics of BODIPY dyes S Radunz, W Kraus, FA Bischoff, F Emmerling, HR Tschiche, ... The Journal of Physical Chemistry A 124 (9), 1787-1797, 2020 | 26 | 2020 |
| [Al2O4]−, a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical Methods M Kaupp, A Karton, FA Bischoff Journal of Chemical Theory and Computation 12 (8), 3796-3806, 2016 | 25 | 2016 |
| Coupled-cluster in real space. 1. CC2 ground state energies using multiresolution analysis JS Kottmann, FA Bischoff Journal of chemical theory and computation 13 (12), 5945-5955, 2017 | 22 | 2017 |
| Regularizing the molecular potential in electronic structure calculations. I. SCF methods FA Bischoff The Journal of chemical physics 141 (18), 2014 | 21 | 2014 |
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für Technologie確認したメール アドレス: kit.edu
