Search filters

List of works by Péter R Nagy

Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications

scientific article published on 05 January 2021

Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods

scientific article published on 11 September 2019

Dual Basis Set Approach for Density Functional and Wave Function Embedding Schemes

scientific article published on 13 August 2018

Improved description of ligand polarization enhances transferability of ion-ligand interactions

scientific article published on 01 September 2020

Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications

scientific article published on 12 December 2019

Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications

scientific article published on 05 April 2021

Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications

scientific article published on 24 July 2018

Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform

scientific article published in June 2017

Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach

scientific article published on 09 October 2019

Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions

scientific article

Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin-Hammett Scenario?

scientific article published in November 2017

The MRCC program system: Accurate quantum chemistry from water to proteins

scientific article published on 01 February 2020

Transferable interactions of Li+ and Mg2+ ions in polarizable models

scientific article published on 01 September 2020

Paulina is supported by:

About Paulina

Help