Robert A Shaw

4PUBLICATIONS
35CO-AUTHORS
Condensed matter modelling and density functional theoryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryRadiation and matter
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Publications (4)

|Nov 07, 2021
Correlation consistent basis sets for explicitly correlated wavefunctions: Pseudopotential-based basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements.

J Grant Hill, Robert A Shaw

|Feb 28, 2021
Efficient enumeration of bosonic configurations with applications to the calculation of non-radiative rates.

Robert A Shaw, Anjay Manian, Igor Lyskov

|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

|Aug 24, 2017
Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials.

Robert A Shaw, J Grant Hill

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Frequent Collaborators

2 joint publications

J Grant Hill

1 joint publications

Daniel G A Smith

1 joint publications

Lori A Burns

1 joint publications

Andrew C Simmonett