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Reference|key=ren:scheffler:2012|show={{{1}}}| | Reference|key=ren:scheffler:2012|show={{{1}}}| | ||
bib=X. Ren, P. Rinke, C. Joas, M. Scheffler, ''Random-phase approximation and its applications in computational chemistry and materials science | bib=X. Ren, P. Rinke, C. Joas, M. Scheffler, ''Random-phase approximation and its applications in computational chemistry and materials science'', J. Mater. Sci. '''47''' 7447 (2012).| | ||
'', J. Mater. Sci. '''47''' 7447 (2012).| | |||
link=https://doi.org/10.1007/s10853-012-6570-4 | link=https://doi.org/10.1007/s10853-012-6570-4 | ||
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bib=T. Gruber, K. Liao, T. Tsatsoulis, F. Hummel, A. Grüneis, ''Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit'', Phys. Rev. X '''8''' 021043 (2018).| | bib=T. Gruber, K. Liao, T. Tsatsoulis, F. Hummel, A. Grüneis, ''Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit'', Phys. Rev. X '''8''' 021043 (2018).| | ||
link=https://doi.org/10.1103/PhysRevX.8.021043 | link=https://doi.org/10.1103/PhysRevX.8.021043 | ||
}}{{ | |||
Reference|key=shi:jacs:2023|show={{{1}}}| | |||
bib=B. Shi, A. Zen, V. Kapil, P. Nagy, A. Grüneis, A. Michaelides, ''Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments'', J. Am. Chem. Soc. '''145''' 25372 (2023).| | |||
link=https://doi.org/10.1021/jacs.3c09616 | |||
}}{{ | |||
Reference|key=foulkes:rmp:2001|show={{{1}}}| | |||
bib=W. Foulkes, L. Mitas, R. Needs, G. Rajagopal, ''Quantum Monte Carlo simulations of solids'', Rev. Mod. Phys. '''77''' 33 (2001).| | |||
link=https://doi.org/10.1103/RevModPhys.73.33 | |||
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Reference|key=taheridehkordi:jcp:2023|show={{{1}}}| | |||
bib=A. Taheridehkordi, M Schlipf, Z. Sukurma, M. Humer, A. Grüneis, G. Kresse, ''Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids'' J. Chem. Phys. '''159''' 044109 (2023).| | |||
link=https://doi.org/10.1063/5.0156657 | |||
}}{{ | |||
Reference|key=lischka:cr:2018|show={{{1}}}| | |||
bib=H. Lischka, D. Nachtigallová, A. Aquino, P. Szalay, F. Plasser, F. Machado, M. Barbatti, ''Multireference Approaches for Excited States of Molecules'', Chem. Rev. '''118''' 7293 (2018).| | |||
link=https://doi.org/10.1021/acs.chemrev.8b00244 | |||
}}{{ | |||
Reference|key=festa:jcp:2005|show={{{1}}}| | |||
bib=G. Festa, M. Cossi, V. Barone, G. Cantele, D. Ninno, G. Iadonisi, ''A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface'', J. Chem. Phys. '''122''' 184714 (2005).| | |||
link=https://doi.org/10.1063/1.1896351 | |||
}}{{ | |||
Reference|key=tosoni:jcp:2007|show={{{1}}}| | |||
bib=S. Tosoni, C. Tuma, J. Sauer, B. Civalleri, P. Ugliengo, ''A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case'', J. Chem. Phys. '''127''' 154102 (2007).| | |||
link=https://doi.org/10.1063/1.2790019 | |||
}}{{ | |||
Reference|key=andrews:cpl:1996|show={{{1}}}| | |||
bib=S. Andrews, N. Burton, I. Hillier, J. Holender, M. Gillan, ''Molecular electronic structure calculations employing a plane wave basis: A comparison with Gaussian basis calculations'', Chem. Phys. Lett. '''261''' 521 (1996).| | |||
link=https://doi.org/10.1016/0009-2614(96)00989-X | |||
}}{{ | |||
Reference|key=pulay:jcc:2005|show={{{1}}}| | |||
bib=P. Pulay, S. Saebo, M. Malagoli, J. Baker, ''Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules'', J. Comput. Chem. '''26''' 599 (2005).| | |||
link=https://doi.org/10.1002/jcc.20196 | |||
}} | }} |
Latest revision as of 10:18, 11 April 2025
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