Long-Range van der Waals Interactions in Density Functional Theory J. A. AlonsoA. Mañanes Regular Article 14 February 2006 Pages: 467 - 472
Quasirelativistic energy-consistent 5f-in-core pseudopotentials for trivalent actinide elements Anna MoritzXiaoyan CaoMichael Dolg Regular Article Open access 21 November 2006 Pages: 473 - 481
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4d elements Y–Cd Kenneth G. Dyall Regular Article 12 October 2006 Pages: 483 - 489
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the actinides Ac–Lr Kenneth G. Dyall Regular Article 11 October 2006 Pages: 491 - 500
Theoretical study on the potential energy surface of NC3P isomers Hui-ling LiuXu-ri HuangChia-chung Sun Regular Article 01 December 2006 Pages: 501 - 520
Tailoring model Hamiltonians for dihalogen—rare gas matrix problems A. BorowskiO. Kühn Regular Article 08 November 2006 Pages: 521 - 533
Do all pieces make a whole? Thiele cumulants and the free energy decomposition Matevž BrenJan FloriánUrban Bren Regular Article 21 February 2007 Pages: 535 - 540
Parallelized integral-direct CIS(D) calculations with multilayer fragment molecular orbital scheme Yuji MochizukiKiyoshi TanakaMinoru Sakurai Regular Article 25 November 2006 Pages: 541 - 553
Accurate and local formulation for thermodynamic properties directly from integral equation method Shiqi Zhou Regular Article 10 January 2007 Pages: 555 - 564
Optimisation of accurate rutile TiO2 (110), (100), (101) and (001) surface models from periodic DFT calculations H. PerronC. DomainH. Catalette Regular Article 13 January 2007 Pages: 565 - 574
On the inner and outer radial density functions Toshikatsu Koga Regular Article 05 January 2007 Pages: 575 - 578
Radical–molecule reaction CH2Cl + NO2: a mechanistic study Jia-xu ZhangZe-sheng LiChia-chung Sun Regular Article 10 January 2007 Pages: 579 - 586
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn Arnim HellwegChristof HättigWim Klopper Regular Article 23 January 2007 Pages: 587 - 597
