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.
24. Correlation energy of many-electron systems: a modified Colle-Salvetti approach. Ragot S; Cortona P J Chem Phys; 2004 Oct; 121(16):7671-80. PubMed ID: 15485226 [TBL] [Abstract][Full Text] [Related]
25. An improved density matrix functional by physically motivated repulsive corrections. Gritsenko O; Pernal K; Baerends EJ J Chem Phys; 2005 May; 122(20):204102. PubMed ID: 15945708 [TBL] [Abstract][Full Text] [Related]
26. Density and chain conformation profiles of square-well chains confined in a slit by density-functional theory. Ye Z; Cai J; Liu H; Hu Y J Chem Phys; 2005 Nov; 123(19):194902. PubMed ID: 16321108 [TBL] [Abstract][Full Text] [Related]
27. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method. Neese F; Wennmohs F; Hansen A J Chem Phys; 2009 Mar; 130(11):114108. PubMed ID: 19317532 [TBL] [Abstract][Full Text] [Related]
28. Linear scaling computation of the Fock matrix. VII. Periodic density functional theory at the Gamma point. Tymczak CJ; Challacombe M J Chem Phys; 2005 Apr; 122(13):134102. PubMed ID: 15847450 [TBL] [Abstract][Full Text] [Related]
29. Electron solvation by polar molecules: the interaction of Na atoms with solid methanol films studied with MIES and density functional theory calculations. Borodin A; Höfft O; Kahnert U; Kempter V; Ferro Y; Allouche A J Chem Phys; 2004 May; 120(18):8692-7. PubMed ID: 15267799 [TBL] [Abstract][Full Text] [Related]
30. Two-electron integrations in the quantum theory of atoms in molecules with correlated wave functions. Pendás AM; Francisco E; Blanco MA J Comput Chem; 2005 Mar; 26(4):344-51. PubMed ID: 15643654 [TBL] [Abstract][Full Text] [Related]
31. Structural and electronic properties of fluorographene. Samarakoon DK; Chen Z; Nicolas C; Wang XQ Small; 2011 Apr; 7(7):965-9. PubMed ID: 21341370 [TBL] [Abstract][Full Text] [Related]
32. First-principles calculations for multiphoton absorption in α-quartz under intense short laser irradiation. Otobe T J Phys Condens Matter; 2010 Sep; 22(38):384204. PubMed ID: 21386538 [TBL] [Abstract][Full Text] [Related]
33. Time-dependent quantum transport: an efficient method based on Liouville-von-Neumann equation for single-electron density matrix. Xie H; Jiang F; Tian H; Zheng X; Kwok Y; Chen S; Yam C; Yan Y; Chen G J Chem Phys; 2012 Jul; 137(4):044113. PubMed ID: 22852603 [TBL] [Abstract][Full Text] [Related]
34. Frequency-dependent response properties and excitation energies from one-electron density matrix functionals. Pernal K; Cioslowski J Phys Chem Chem Phys; 2007 Dec; 9(45):5956-65. PubMed ID: 18004407 [TBL] [Abstract][Full Text] [Related]
35. Dynamical screening effects in correlated electron materials-a progress report on combined many-body perturbation and dynamical mean field theory: 'GW + DMFT'. Biermann S J Phys Condens Matter; 2014 Apr; 26(17):173202. PubMed ID: 24722486 [TBL] [Abstract][Full Text] [Related]
36. Local CC2 electronic excitation energies for large molecules with density fitting. Kats D; Korona T; Schütz M J Chem Phys; 2006 Sep; 125(10):104106. PubMed ID: 16999514 [TBL] [Abstract][Full Text] [Related]
37. Correlation holes for the helium dimer. Piris M; Lopez X; Ugalde JM J Chem Phys; 2008 Apr; 128(13):134102. PubMed ID: 18397048 [TBL] [Abstract][Full Text] [Related]
38. Electron density fitting for the Coulomb problem in relativistic density-functional theory. Belpassi L; Tarantelli F; Sgamellotti A; Quiney HM J Chem Phys; 2006 Mar; 124(12):124104. PubMed ID: 16599659 [TBL] [Abstract][Full Text] [Related]
39. Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory. Rohrdanz MA; Herbert JM J Chem Phys; 2008 Jul; 129(3):034107. PubMed ID: 18647016 [TBL] [Abstract][Full Text] [Related]
40. Long-range energy transfer and ionization in extended quantum systems driven by ultrashort spatially shaped laser pulses. Paramonov GK; Bandrauk AD; Kühn O Phys Chem Chem Phys; 2011 May; 13(19):8637-46. PubMed ID: 21487637 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]