Kenneth G Dyall

9PUBLICATIONS
37CO-AUTHORS
Condensed matter modelling and density functional theoryProgramming languagesTheoretical quantum chemistryData structures and algorithmsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (9)

|Feb 11, 2026
Relativistic quintuple-zeta basis sets for the p block.

Marten L Reitsma, Eifion H Prinsen, Johan D Polet

|Oct 10, 2025
Relativistic quintuple-zeta basis sets for the s block.

Marten L Reitsma, Eifion H Prinsen, Johan D Polet

|Aug 02, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique features.

Yixiang Cao, Ty Balduf, Michael D Beachy

|Aug 01, 2024
A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions.

Chaoqun Zhang, Kirk A Peterson, Kenneth G Dyall

|Dec 13, 2023
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective.

Can Liao, Eleftherios Lambros, Qiming Sun

|Sep 20, 2023
Relativistic resolution-of-the-identity with Cholesky integral decomposition.

Samragni Banerjee, Tianyuan Zhang, Kenneth G Dyall

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Frequent Collaborators

3 joint publications

Xiaosong Li

2 joint publications

Anastasia Borschevsky

2 joint publications

Johan D Polet

2 joint publications

Tianyuan Zhang