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Alec White

6PUBLICATIONS

164CO-AUTHORS

Theoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterCondensed matter modelling and density functional theoryFormal methods for softwareNumerical solution of differential and integral equations

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Publications (6)

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|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Aug 03, 2021

Conservation laws in coupled cluster dynamics at finite temperature.

Ruojing Peng, Alec F White, Huanchen Zhai

|Apr 09, 2021

Erratum: "Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems" [J. Chem. Phys. 152, 224104 (2020)].

Alec F White, Garnet Kin-Lic Chan

|Dec 15, 2020

A coupled cluster framework for electrons and phonons.

Alec F White, Yang Gao, Austin J Minnich

|Jul 17, 2020

Recent developments in the PySCF program package.

Qiming Sun, Xing Zhang, Samragni Banerjee

|Jun 15, 2020

Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems.

Alec F White, Garnet Kin-Lic Chan

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Frequent Collaborators

5 joint publications

Garnet Kin-Lic Chan

2 joint publications

Yang Gao

2 joint publications

Xing Zhang

2 joint publications

Maximilian Scheurer

2 joint publications

Susi Lehtola

2 joint publications

Kevin Koh

1 joint publications

Austin J Minnich

1 joint publications

Huanchen Zhai

1 joint publications

Xintian Feng

1 joint publications

Marc P Coons

Frequent Collaborators

5 joint publications

Garnet Kin-Lic Chan

2 joint publications

Yang Gao

2 joint publications

Xing Zhang

2 joint publications

Maximilian Scheurer

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