Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers

Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties

(2010) Katrin Freundorfer et al.   JOURNAL OF CHEMICAL PHYSICS

Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

(2010) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Second Order Local Møller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code

(2010) Denis Usvyat et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Correlation-induced corrections to the band structure of boron nitride: A wave-function-based approach

(2009) A. Stoyanova et al.   JOURNAL OF CHEMICAL PHYSICS

Resolution of identity approximation for the Coulomb term in molecular and periodic systems

(2009) Asbjörn M. Burow et al.   JOURNAL OF CHEMICAL PHYSICS

Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

(2009) M. Marsman et al.   JOURNAL OF CHEMICAL PHYSICS

Fundamental Optical Properties of Linear and Cyclic Alkanes: VUV Absorbance and Index of Refraction

(2009) Elizabeth A. Costner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Calculation of properties of crystalline lithium hydride using correlated wave function theory

(2009) S. J. Nolan et al.   PHYSICAL REVIEW B

Fast second-order many-body perturbation method for extended systems

(2009) So Hirata et al.   PHYSICAL REVIEW B

Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree–Fock-type exchange introduce excitonic effects?

(2008) Artur F. Izmaylov et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory

(2008) Melissa J. Lucero et al.   JOURNAL OF CHEMICAL PHYSICS

Pseudospectral time-dependent density functional theory

(2008) Chaehyuk Ko et al.   JOURNAL OF CHEMICAL PHYSICS

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

On the use of the Laplace transform in local correlation methods

(2008) Danylo Kats et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Resolution of the identity atomic orbital Laplace transformed second order Møller–Plesset theory for nonconducting periodic systems

(2008) Artur F. Izmaylov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fitting of local densities in periodic systems

(2008) Lorenzo Maschio et al.   PHYSICAL REVIEW B