Related references
Note: Only part of the references are listed.Periodic local Moller-Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets
Lorenzo Maschio et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Second Order Local Moller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code
Denis Usvyat et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
Bartolomeo Civalleri et al.
CRYSTENGCOMM (2008)
The calculation of static polarizabilities of 1-3D periodic compounds.: The implementation in the CRYSTAL code
Mauro Ferrero et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Periodic local MP2 method for the study of electronic correlation in crystals:: Theory and preliminary applications
Cesare Pisani et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Defect-related photoluminescence of hexagonal boron nitride
Luc Museur et al.
PHYSICAL REVIEW B (2008)
Density functional theory augmented with an empirical dispersion term.: Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
Petr Jurecka et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Longitudinal polarizability of carbon nanotubes
Edward N. Brothers et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Ab initio calculations of the dispersion contribution to the physisorption potential:: Application to the N2-BN system
I Baraille et al.
PHYSICAL REVIEW B (2006)
Huge excitonic effects in layered hexagonal boron nitride -: art. no. 026402
B Arnaud et al.
PHYSICAL REVIEW LETTERS (2006)
Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations
AJ Misquitta et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies
A Hesselmann et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Dispersion corrections to density functionals for water aromatic interactions
U Zimmerli et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Implementation of the finite field perturbation method in the CRYSTAL program for calculating the dielectric constant of periodic systems
C Darrigan et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems
J Langlet et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Intramolecular dependence of the frequency dependent polarizabilities of Li2(a 3Σu+) and Na2(a 3Σu+) and van der Waals dispersion coefficients for atom-diatom and diatom-diatom alkali
M Rérat et al.
MOLECULAR PHYSICS (2003)
Empirical correction to density functional theory for van der Waals interactions
Q Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Towards extending the applicability of density functional theory to weakly bound systems
X Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Electronic structure of radially deformed BN and BC3 nanotubes -: art. no. 205408
YH Kim et al.
PHYSICAL REVIEW B (2001)