Concepedia

Author

Ute Becker

Max-Planck-Institut für KohlenforschungORCID

Also Known As

Ute Becker

15

Publications

10.6K

Citations

13

H-Index

22

Concepts

All Affiliations

Max-Planck-Institut für KohlenforschungMax Planck Institute for Chemical Energy ConversionVirginia TechMax Planck Society
UB

About

Ute Becker is an author at Max-Planck-Institut für Kohlenforschung specializing in natural sciences, quantum chemistry, and engineering.

Top Concepts

#ConceptH-IndexPublicationsCitations

1

Engineering

8

8

9.2K

2

Natural Sciences

8

8

9.2K

3

Chemistry

5

5

6.2K

4

Applied Physics

2

2

1.5K

5

Materials Science

1

1

397

Ute Becker

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14

Publications

10.6K

Citations

13

H-Index

YearCitations

The ORCA quantum chemistry program package

Frank Neese, Frank Wennmohs, Ute Becker,

The Journal of Chemical Physics

2020

4.6K

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Frank Neese, Frank Wennmohs, Andreas Hansen,

Chemical Physics

2008

2.9K

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

Christoph Riplinger, Peter Pinski, Ute Becker,

The Journal of Chemical Physics

2016

1.1K

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

Yang Guo, Christoph Riplinger, Ute Becker,

The Journal of Chemical Physics

2018

762

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

Masaaki Saitow, Ute Becker, Christoph Riplinger,

The Journal of Chemical Physics

2017

409

Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following

Vilhjálmur Ásgeirsson, Benedikt O. Birgisson, Ragnar Björnsson,

Journal of Chemical Theory and Computation

2021

397

Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations

Dmytro Bykov, Taras Petrenko, Róbert Izsák,

Molecular Physics

2015

112

Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T/T)]

Yang Guo, Christoph Riplinger, Dimitrios G. Liakos,

The Journal of Chemical Physics

2020

105

Multilevel Approaches within the Local Pair Natural Orbital Framework

Manuel Sparta, Marius Retegan, Peter Pinski,

Journal of Chemical Theory and Computation

2017

55

Comparison and combination of “direct” and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

Yang Guo, Ute Becker, Frank Neese

The Journal of Chemical Physics

2018

55

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