Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Jürgen Gauss

11PUBLICATIONS
19CO-AUTHORS
Theoretical quantum chemistryMathematical aspects of general relativityCondensed matter modelling and density functional theoryData structures and algorithmsStructure and dynamics of materials
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (11)

Sort by Publication Date:
|Aug 22, 2021
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals.

Sophia Burger, Filippo Lipparini, Jürgen Gauss

|May 04, 2021
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings.

Georgi L Stoychev, Alexander A Auer, Jürgen Gauss

|Oct 23, 2020
Ground and excited state first-order properties in many-body expanded full configuration interaction theory.

Janus J Eriksen, Jürgen Gauss

|Jun 08, 2020
Coupled-cluster techniques for computational chemistry: The CFOUR program package.

Devin A Matthews, Lan Cheng, Michael E Harding

|Aug 03, 2019
Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations.

Takashi Kato, Ken Schäfer, Stefan Jaschonek

|Jul 06, 2019
Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks.

Xintian Feng, Evgeny Epifanovsky, Jürgen Gauss

Pageof 2

Frequent Collaborators

2 joint publications

Lan Cheng

2 joint publications

Anna I Krylov

2 joint publications

Filippo Lipparini

2 joint publications

Stella Stopkowicz

1 joint publications

Prakash Verma

1 joint publications

Kaushik D Nanda

1 joint publications

Till Kirsch

1 joint publications

Franziska Engel

1 joint publications

Gregor Diezemann

1 joint publications

Devin A Matthews

Frequent Collaborators

2 joint publications

Lan Cheng

2 joint publications

Anna I Krylov

2 joint publications

Filippo Lipparini

2 joint publications

Stella Stopkowicz

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

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

Published on : Apr 08, 2020

8.4K
Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR
10:54

Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR

Published on : Feb 23, 2016

10.8K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

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

Published on : May 27, 2020

8.8K
See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

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

Published on : Apr 08, 2020

8.4K
Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR
10:54

Dissolution Dynamic Nuclear Polarization Instrumentation for Real-time Enzymatic Reaction Rate Measurements by NMR

Published on : Feb 23, 2016

10.8K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

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

Published on : May 27, 2020

8.8K
See more related videos