| Monte Carlo methods in electronic structures for large systems A Lüchow, JB Anderson Annual review of physical chemistry 51 (1), 501-526, 2000 | 145 | 2000 |
| First‐row hydrides: Dissociation and ground state energies using quantum Monte Carlo A Lüchow, JB Anderson The Journal of chemical physics 105 (17), 7573-7578, 1996 | 107 | 1996 |
| Structural Versatility of Anion− π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations M Albrecht, C Wessel, M de Groot, K Rissanen, A Lüchow Journal of the American Chemical Society 130 (14), 4600-4601, 2008 | 105 | 2008 |
| On the accuracy of the fixed-node diffusion quantum Monte Carlo method S Manten, A Lüchow The Journal of Chemical Physics 115 (12), 5362-5366, 2001 | 105 | 2001 |
| Energetics of carbon clusters C20 from all-electron quantum Monte Carlo calculations S Sokolova, A Lüchow, JB Anderson Chemical Physics Letters 323 (3-4), 229-233, 2000 | 105 | 2000 |
| Quantum monte carlo methods A Lüchow Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (3), 388-402, 2011 | 80 | 2011 |
| Accurate upper and lower bounds to the 2S states of the lithium atom A Lüchow, H Kleindienst International journal of quantum chemistry 51 (4), 211-224, 1994 | 72 | 1994 |
| Nonrelativistic energies for the Be atom: Double‐linked Hylleraas–CI calculation G Büsse, H Kleindienst, A Lüchow International journal of quantum chemistry 66 (3), 241-247, 1998 | 60 | 1998 |
| Toward the exact solution of the electronic Schrödinger equation for noncovalent molecular interactions: worldwide distributed quantum monte carlo calculations M Korth, A Lüchow, S Grimme The Journal of Physical Chemistry A 112 (10), 2104-2109, 2008 | 58 | 2008 |
| Nodal surfaces of helium atom eigenfunctions TC Scott, A Lüchow, D Bressanini, JD Morgan III Physical Review A—Atomic, Molecular, and Optical Physics 75 (6), 060101, 2007 | 55 | 2007 |
| Weak intermolecular interactions calculated with diffusion Monte Carlo C Diedrich, A Lüchow, S Grimme The Journal of chemical physics 123 (18), 184106, 2005 | 54 | 2005 |
| Improved estimates of the total correlation energy in the ground state of the water molecule A Lüchow, JB Anderson, D Feller The Journal of chemical physics 106 (18), 7706-7708, 1997 | 49 | 1997 |
| Energetics of carbon clusters and from all-electron quantum Monte Carlo calculations Y Shlyakhter, S Sokolova, A Lüchow, JB Anderson The Journal of chemical physics 110 (22), 10725-10729, 1999 | 45 | 1999 |
| Vanadium oxide compounds with quantum Monte Carlo A Bande, A Lüchow Physical Chemistry Chemical Physics 10 (23), 3371-3376, 2008 | 43 | 2008 |
| An ab initio study of TiC with the diffusion quantum Monte Carlo method S Sokolova, A Lüchow Chemical Physics Letters 320 (5-6), 421-424, 2000 | 43 | 2000 |
| Linear scaling for the local energy in quantum Monte Carlo S Manten, A Lüchow The Journal of chemical physics 119 (3), 1307-1312, 2003 | 38 | 2003 |
| Structure and energetics of phenol (H 2 O) n, n⩽ 7: Quantum Monte Carlo calculations and double resonance experiments A Lüchow, D Spangenberg, C Janzen, A Jansen, M Gerhards, ... Physical Chemistry Chemical Physics 3 (14), 2771-2780, 2001 | 38 | 2001 |
| Single electron densities: a new tool to analyze molecular wavefunctions A Lüchow, R Petz Journal of Computational Chemistry 32 (12), 2619-2626, 2011 | 37 | 2011 |
| On the systematic improvement of fixed-node diffusion quantum Monte Carlo energies using pair natural orbital CI guide functions A Lüchow, RF Fink The Journal of Chemical Physics 113 (19), 8457-8463, 2000 | 37 | 2000 |
| The effects of methyl internal rotation and 14N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide R Kannengießer, S Klahm, H Vinh Lam Nguyen, A Lüchow, W Stahl The Journal of Chemical Physics 141 (20), 204308, 2014 | 33 | 2014 |
