List of works - János Ángyán

Ab Initio Study of Structure and Interconversion of Native Cellulose Phases

scientific article published on 18 August 2011

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

scientific article published on 3 March 2009

Approximate electrostatic interaction operator for QM/MM calculations

Aurophilic Interactions from Wave Function, Symmetry-Adapted Perturbation Theory, and Rangehybrid Approaches.

scientific article published on 22 July 2011

Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions

scientific article published on 01 August 2011

Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation.

scientific article published in November 2010

Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach ⬇️

scientific article published on 22 September 2011

Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations

scientific article published on 29 September 2007

Geometry optimization of periodic systems using internal coordinates.

scientific article published in March 2005

Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections.

scientific article published in November 2010

London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: the case of rare gas complexes

scientific article published on 01 January 2007

Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field

scientific article published on 6 October 2007

Normalization corrections to perturbation theory for the time-independent nonlinear Schrödinger equation.

scientific article published in August 1991

On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions.

scientific article

On the exchange-hole model of London dispersion forces

scientific article published on 01 July 2007

Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solids

scientific article published on 01 August 2007

Screened hybrid density functionals applied to solids.