Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Thomas-C Jagau

5PUBLICATIONS

135CO-AUTHORS

Theoretical quantum chemistryData structures and algorithmsStatistical mechanics in chemistryMathematical aspects of general relativity

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (5)

Sort by Publication Date:

|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

|Jun 08, 2020

Coupled-cluster techniques for computational chemistry: The CFOUR program package.

Devin A Matthews, Lan Cheng, Michael E Harding

|May 10, 2020

Resolution-of-the-identity second-order Møller-Plesset perturbation theory with complex basis functions: Benchmark calculations and applications to strong-field ionization of polyacenes.

Mario Hernández Vera, Thomas-C Jagau

|Nov 17, 2019

A Schwarz inequality for complex basis function methods in non-Hermitian quantum chemistry.

Travis H Thompson, Christian Ochsenfeld, Thomas-C Jagau

|Sep 23, 2019

Resolution-of-the-identity approximation for complex-scaled basis functions.

Mario Hernández Vera, Thomas-C Jagau

Pageof 1

Frequent Collaborators

3 joint publications

Mario Hernández Vera

2 joint publications

Christian Ochsenfeld

1 joint publications

Devin A Matthews

1 joint publications

Lan Cheng

1 joint publications

Michael E Harding

1 joint publications

Filippo Lipparini

1 joint publications

Stella Stopkowicz

1 joint publications

Péter G Szalay

1 joint publications

Jürgen Gauss

1 joint publications

John F Stanton

Frequent Collaborators

3 joint publications

Mario Hernández Vera

2 joint publications

Christian Ochsenfeld

1 joint publications

Devin A Matthews

1 joint publications

Lan Cheng

Top Related Videos

New Features in Visual Dynamics 3.0

New Features in Visual Dynamics 3.0

Published on : Aug 09, 2024

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

See more related videos

Top Related Videos

New Features in Visual Dynamics 3.0

New Features in Visual Dynamics 3.0

Published on : Aug 09, 2024

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

See more related videos