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The last 5 uploaded publications
Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas
James J. Shepherd, Pablo L 'opez R 'Ios, R. J. Needs, N. D. Drummond, Jennifer A. F. Mohr, George H. Booth, Andreas Gr uneis, Kresse Georg, Ali Alavi (2013). Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas. Bulletin of the American Physical Society, 2013
Article169 days agoTowards an exact description of electronic wavefunctions in real solids
George H. Booth, Andreas Grüneis, Kresse Georg, Ali Alavi (2012). Towards an exact description of electronic wavefunctions in real solids. Nature, 493(7432), pp. 365-370, DOI: 10.1038/nature11770.
Article180 days agoNatural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grüneis, George H. Booth, Martijn Marsman, James S. Spencer, Ali Alavi, Kresse Georg (2011). Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set. Journal of Chemical Theory and Computation, 7(9), pp. 2780-2785, DOI: 10.1021/ct200263g.
Article180 days agoConvergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems
James J. Shepherd, Andreas Grüneis, George H. Booth, Kresse Georg, Ali Alavi (2012). Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems. Physical Review B, 86(3), DOI: 10.1103/physrevb.86.035111.
Article180 days agoNovel perturbative and variational methods for stronger correlations: general discussion
Vibin Abraham, Kemal Atalar, Kenneth O. Berard, George H. Booth, Hugh G. A. Burton, Garnet Kin‐Lic Chan, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Alexander Gunasekera, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Pierre‐François Loos, E. A. Magnusson, Nicholas J. Mayhall, Carlos Mejuto-Zaera, Frank Neese, Verena A. Neufeld, Pinkie Ntola, Felix Plasser, Visagan Ravindran, Christian Schilling, Gustavo E. Scuseria, James Shee, Benjamin X. Shi, David P. Tew, Alex J. W. Thom, Zikuan Wang, Dominika Zgid (2024). Novel perturbative and variational methods for stronger correlations: general discussion. Faraday Discussions, DOI: 10.1039/d4fd90041c.
Article170 days ago