_tcm18-11426.gif )
High quality research in physical chemistry, chemical physics and biophysical chemistry.
Contents list for Physical Chemistry Chemical Physics, issue 23, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 3305
DOI: 10.1039/b808620f
Contents and Chemical Science
Phys. Chem. Chem. Phys., 2008, 10, 3307
DOI: 10.1039/b808627n
Editorial
Explicit-r12 correlation methods and local correlation methods
Phys. Chem. Chem. Phys., 2008, 10, 3318
DOI: 10.1039/b808067b
Papers
Implementation of the CCSD(T)-F12 method using cusp conditions
Denis Bokhan, Seiichiro Ten-no and Jozef Noga,
Phys. Chem. Chem. Phys., 2008, 10, 3320
DOI: 10.1039/b803426p
Analysis of non-covalent interactions in (bio)organic molecules using orbital-partitioned localized MP2
Stefan Grimme, Christian Mück-Lichtenfeld and Jens Antony,
Phys. Chem. Chem. Phys., 2008, 10, 3327
DOI: 10.1039/b803508c
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO–MP2 theory
Bernd Doser, Daniel S. Lambrecht and Christian Ochsenfeld,
Phys. Chem. Chem. Phys., 2008, 10, 3335
DOI: 10.1039/b804110e
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations
Nicholas J. Russ and T. Daniel Crawford,
Phys. Chem. Chem. Phys., 2008, 10, 3345
DOI: 10.1039/b804119a
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R. Manby, Alexander Mitrushchenkov, Hans-Joachim Werner and Hermann Stoll,
Phys. Chem. Chem. Phys., 2008, 10, 3353
DOI: 10.1039/b804672g
Equations of explicitly-correlated coupled-cluster methods
Toru Shiozaki, Muneaki Kamiya, So Hirata and Edward F. Valeev,
Phys. Chem. Chem. Phys., 2008, 10, 3358
DOI: 10.1039/b803704n
Vanadium oxide compounds with quantum Monte Carlo
Annika Bande and Arne Lüchow,
Phys. Chem. Chem. Phys., 2008, 10, 3371
DOI: 10.1039/b803571g
Second-order Møller–Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory
Pål Dahle, Trygve Helgaker, Dan Jonsson and Peter R. Taylor,
Phys. Chem. Chem. Phys., 2008, 10, 3377
DOI: 10.1039/b803577f
The 
- states of the molecular hydrogen
Jacek Komasa,
Phys. Chem. Chem. Phys., 2008, 10, 3383
DOI: 10.1039/b803548b
Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements
Sebastian Höfener, Florian A. Bischoff, Andreas Glöß and Wim Klopper,
Phys. Chem. Chem. Phys., 2008, 10, 3390
DOI: 10.1039/b803575j
Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions
Oliver Marchetti and Hans-Joachim Werner,
Phys. Chem. Chem. Phys., 2008, 10, 3400
DOI: 10.1039/b804334e
Variational formulation of perturbative explicitly-correlated coupled-cluster methods
Martin Torheyden and Edward F. Valeev,
Phys. Chem. Chem. Phys., 2008, 10, 3410
DOI: 10.1039/b803620a
Resolution of the identity atomic orbital Laplace transformed second order Møller–Plesset theory for nonconducting periodic systems
Artur F. Izmaylov and Gustavo E. Scuseria,
Phys. Chem. Chem. Phys., 2008, 10, 3421
DOI: 10.1039/b803274m
On the use of the Laplace transform in local correlation methods
Danylo Kats, Denis Usvyat and Martin Schütz,
Phys. Chem. Chem. Phys., 2008, 10, 3430
DOI: 10.1039/b802993h
Intracule densities in the strong-interaction limit of density functional theory
Paola Gori-Giorgi, Michael Seidl and Andreas Savin,
Phys. Chem. Chem. Phys., 2008, 10, 3440
DOI: 10.1039/b803709b
Intracule functional models
Part III. The dot intracule and its Fourier transform
Yves A. Bernard, Deborah L. Crittenden and Peter M. W. Gill,
Phys. Chem. Chem. Phys., 2008, 10, 3447
DOI: 10.1039/b803919d
Density matrix renormalisation group Lagrangians
Garnet Kin-Lic Chan,
Phys. Chem. Chem. Phys., 2008, 10, 3454
DOI: 10.1039/b805292c
The principle-quantum-number (and the radial-quantum-number) expansion of the correlation energy of two-electron atoms
Werner Kutzelnigg,
Phys. Chem. Chem. Phys., 2008, 10, 3460
DOI: 10.1039/b805284k
Back matter
Phys. Chem. Chem. Phys., 2008, 10, 3469
DOI: 10.1039/b808628c
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 3475
DOI: 10.1039/b808629j
RSS feed