List of works - Peter Gill

Advances in methods and algorithms in a modern quantum chemistry program package.

scientific article

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

article

Assessment of DFT Methods for Transition Metals with the TMC151 Compilation of Data Sets and Comparison with Accuracies for Main-Group Chemistry

scientific article published on 31 May 2019

Basis functions for electronic structure calculations on spheres. ⬇️

scientific article published in December 2014

Chemistry in one dimension ⬇️

scientific article published on 01 February 2015

Communication: Hartree-Fock description of excited states of H₂.

scientific article published in September 2014

Communication: Three-electron coalescence points in two and three dimensions ⬇️

scientific article published on 01 November 2015

Distribution of r·p in Atomic Systems ⬇️

scientific article published on November 11, 2010

EDF2: A Density Functional for Predicting Molecular Vibrational Frequencies

scientific article (publication date: 2004)

Efficient Method for Calculating Effective Core Potential Integrals.

scientific article published on 21 February 2018

Efficient calculation of p-values in linear-statistic permutation significance tests

mathematics paper

Empirical density functionals

scientific article (publication date: February 1998)

Exact wave functions for concentric two-electron systems

Excitation Number: Characterizing Multiply Excited States

scientific article published on 22 December 2017

MP2[V]--A Simple Approximation to Second-Order Møller-Plesset Perturbation Theory

scientific article published on 01 April 2015

Many-Electron Integrals over Gaussian Basis Functions. I. Recurrence Relations for Three-Electron Integrals ⬇️

scientific article published on 16 March 2016

Mixed Ramp–Gaussian Basis Sets

scientific article published on 01 October 2014

Molecular electronic structure in one-dimensional Coulomb systems

scientific article published on 20 January 2017

Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals

scientific article published on 01 September 2014

Self-consistent field calculations of excited states using the maximum overlap method (MOM).

scientific article published in December 2008

Simple models for difficult electronic excitations.

scientific article published on 14 February 2018

Tribute to Leo Radom

scientific article published on 01 December 2019

Two-Electron Integrals over Gaussian Geminals.

scientific article published on 6 September 2016

Uniform electron gases. II. The generalized local density approximation in one dimension ⬇️

scientific article published on 01 May 2014

Uniform electron gases. III. Low-density gases on three-dimensional spheres ⬇️

scientific article published on 01 August 2015

List of works by Peter Gill