These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Ab initio calculation of van der Waals bonded molecular crystals. Lu D; Li Y; Rocca D; Galli G Phys Rev Lett; 2009 May; 102(20):206411. PubMed ID: 19519054 [TBL] [Abstract][Full Text] [Related]
5. Many-body van der Waals interactions in molecules and condensed matter. DiStasio RA; Gobre VV; Tkatchenko A J Phys Condens Matter; 2014 May; 26(21):213202. PubMed ID: 24805055 [TBL] [Abstract][Full Text] [Related]
6. Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem. Tkatchenko A; Ambrosetti A; DiStasio RA J Chem Phys; 2013 Feb; 138(7):074106. PubMed ID: 23444996 [TBL] [Abstract][Full Text] [Related]
7. On the Short-Range Behavior of Correlated Pair Functions from the Adiabatic-Connection Fluctuation-Dissipation Theorem of Density-Functional Theory. Heßelmann A; Görling A J Chem Theory Comput; 2013 Oct; 9(10):4382-95. PubMed ID: 26589155 [TBL] [Abstract][Full Text] [Related]
8. A first-principles study of weakly bound molecules using exact exchange and the random phase approximation. Nguyen HV; Galli G J Chem Phys; 2010 Jan; 132(4):044109. PubMed ID: 20113021 [TBL] [Abstract][Full Text] [Related]
9. Van der waals interactions in molecular assemblies from first-principles calculations. Li Y; Lu D; Nguyen HV; Galli G J Phys Chem A; 2010 Feb; 114(4):1944-52. PubMed ID: 20043660 [TBL] [Abstract][Full Text] [Related]
10. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory. Göltl F; Grüneis A; Bučko T; Hafner J J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253 [TBL] [Abstract][Full Text] [Related]
11. FDE-vdW: A van der Waals inclusive subsystem density-functional theory. Kevorkyants R; Eshuis H; Pavanello M J Chem Phys; 2014 Jul; 141(4):044127. PubMed ID: 25084901 [TBL] [Abstract][Full Text] [Related]
12. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation. van Aggelen H; Yang Y; Yang W J Chem Phys; 2014 May; 140(18):18A511. PubMed ID: 24832319 [TBL] [Abstract][Full Text] [Related]
13. Alkane adsorption in Na-exchanged chabazite: the influence of dispersion forces. Göltl F; Hafner J J Chem Phys; 2011 Feb; 134(6):064102. PubMed ID: 21322656 [TBL] [Abstract][Full Text] [Related]
14. Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes. Corminboeuf C Acc Chem Res; 2014 Nov; 47(11):3217-24. PubMed ID: 24655016 [TBL] [Abstract][Full Text] [Related]
16. Are we van der Waals ready? Björkman T; Gulans A; Krasheninnikov AV; Nieminen RM J Phys Condens Matter; 2012 Oct; 24(42):424218. PubMed ID: 23032078 [TBL] [Abstract][Full Text] [Related]
17. On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions. Jansen G; Liu RF; Angyán JG J Chem Phys; 2010 Oct; 133(15):154106. PubMed ID: 20969369 [TBL] [Abstract][Full Text] [Related]
18. Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem. Erhard J; Fauser S; Kalaß S; Moerman E; Trushin E; Görling A Faraday Discuss; 2020 Dec; 224(0):79-97. PubMed ID: 32935700 [TBL] [Abstract][Full Text] [Related]
19. Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels. Lu D J Chem Phys; 2016 Aug; 145(5):054121. PubMed ID: 27497553 [TBL] [Abstract][Full Text] [Related]
20. Excitation energies from range-separated time-dependent density and density matrix functional theory. Pernal K J Chem Phys; 2012 May; 136(18):184105. PubMed ID: 22583275 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]