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Holger Kruse

3PUBLICATIONS

65CO-AUTHORS

Programming languagesTheoretical quantum chemistry

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Publications (3)

Sort by Publication Date:

|Dec 02, 2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Jun 08, 2020

Surprisingly broad applicability of the cc-pVnZ-F12 basis set for ground and excited states.

Holger Kruse, Rafał Szabla, Jiří Šponer

|May 17, 2020

Psi4 1.4: Open-source software for high-throughput quantum chemistry.

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

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Frequent Collaborators

2 joint publications

Daniel G A Smith

2 joint publications

Lori A Burns

2 joint publications

Andrew C Simmonett

2 joint publications

Zachary L Glick

2 joint publications

Peter Kraus

2 joint publications

Roberto Di Remigio

2 joint publications

Asem Alenaizan

2 joint publications

Jeffrey B Schriber

2 joint publications

Maximilian Scheurer

2 joint publications

Jonathon P Misiewicz

Frequent Collaborators

2 joint publications

Daniel G A Smith

2 joint publications

Lori A Burns

2 joint publications

Andrew C Simmonett

2 joint publications

Zachary L Glick

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