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Publications by Piotr de Silva

Implementation of the Many-Pair Expansion for Systematically Improving Density Functional Calculations of Molecules

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Related publications

Fully Numerical Hartree‐Fock and Density Functional Calculations. II. Diatomic Molecules

International Journal of Quantum Chemistry

Condensed Matter Physics

Molecular Physics,

Theoretical Chemistry

English

Density Functional Calculations for Liquid Metal Surfaces

Journal of Physics C: Solid State Physics

English

A Standard Grid for Density Functional Calculations

Chemical Physics Letters

Theoretical Chemistry

English

Density-Functional Calculations of Carbon Diffusion in GaAs

Physical Review B

English

Metal Adsorbate Interactions and the Convergence of Density Functional Calculations

Journal of Chemical Physics

Theoretical Chemistry

English

Importance of Nonlinear Core Corrections for Density-Functional Based Pseudopotential Calculations

Physical Review B

English

Synergy Between Pair Coupled Cluster Doubles and Pair Density Functional Theory

Journal of Chemical Physics

Theoretical Chemistry

English

Adsorption of Te on Ge(001): Density-Functional Calculations

Physical Review B

English

Quasicontinuum-Like Reduction of Density Functional Theory Calculations of Nanostructures

Journal of Nanoscience and Nanotechnology

Materials Science

Condensed Matter Physics

Biomedical Engineering

English