화학공학소재연구정보센터
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No. Article
1 Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS
Mood KH, Luchow A
Journal of Physical Chemistry A, 121(32), 6165, 2017
2 Accurate rotational barrier calculations with diffusion quantum Monte Carlo
Klahm S, Luchow A
Chemical Physics Letters, 600, 7, 2014
3 Isomerization of Bicyclo[1.1.0]butane by Means of the Diffusion Quantum Monte Carlo Method
Berner R, Luchow A
Journal of Physical Chemistry A, 114(50), 13222, 2010
4 Toward the exact solution of the electronic Schrodinger equation for noncovalent molecular interactions: Worldwide distributed quantum Monte Carlo calculations
Korth M, Luchow A, Grimme S
Journal of Physical Chemistry A, 112(10), 2104, 2008
5 Structural versatility of anion-pi interactions in halide salts with pentafluorophenyl substituted cations
Albrecht M, Wesselt C, de Groot M, Rissanen K, Luchow A
Journal of the American Chemical Society, 130(14), 4600, 2008
6 Linear scaling for the local energy in quantum Monte Carlo
Manten S, Luchow A
Journal of Chemical Physics, 119(3), 1307, 2003
7 Computing energy levels by inversion of imaginary-time cross-correlation functions
Luchow A, Neuhauser D, Ka JJ, Baer R, Chen JH, Mandelshtam VA
Journal of Physical Chemistry A, 107(37), 7175, 2003
8 On the accuracy of the fixed-node diffusion quantum Monte Carlo method
Manten S, Luchow A
Journal of Chemical Physics, 115(12), 5362, 2001
9 An ab initio study of TiC with the diffusion quantum Monte Carlo method
Sokolova S, Luchow A
Chemical Physics Letters, 320(5-6), 421, 2000
10 Energetics of carbon clusters C-20 from all-electron quantum Monte Carlo calculations
Sokolova S, Luchow A, Anderson JB
Chemical Physics Letters, 323(3-4), 229, 2000