Publications by authors named "Ute Becker"

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The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting.
Frank Neese, Pauline Colinet, Bernardo DeSouza, Benjamin Helmich-Paris, Frank Wennmohs, Ute Becker

J Phys Chem A· March 2025

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Code generation in ORCA: progress, efficiency and tight integration.
Marvin H Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A Auer, Axel Koslowski, Ute Becker

Phys Chem Chem Phys· May 2024

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SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital.
Yang Guo, Fabijan Pavošević, Kantharuban Sivalingam, Ute Becker, Edward F Valeev

J Chem Phys· March 2023

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Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.
Miquel Garcia-Ratés, Ute Becker, Frank Neese

J Comput Chem· October 2021

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Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following.
Vilhjálmur Ásgeirsson, Benedikt Orri Birgisson, Ragnar Bjornsson, Ute Becker, Frank Neese

J Chem Theory Comput· August 2021

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Improved survival in metastatic breast cancer: results from a 20-year study involving 1033 women treated at a single comprehensive cancer center.
Anja Welt, Simon Bogner, Marina Arendt, Josef Kossow, Antonia Huffziger, Ute Becker

J Cancer Res Clin Oncol· June 2020

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The ORCA quantum chemistry program package.
Frank Neese, Frank Wennmohs, Ute Becker, Christoph Riplinger

J Chem Phys· June 2020

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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, Ute Becker, Masaaki Saitow

J Chem Phys· January 2020

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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

J Chem Phys· March 2018

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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, Dimitrios G Liakos, Yury Minenkov

J Chem Phys· January 2018

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Multilevel Approaches within the Local Pair Natural Orbital Framework.
Manuel Sparta, Marius Retegan, Peter Pinski, Christoph Riplinger, Ute Becker

J Chem Theory Comput· July 2017

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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, Edward F Valeev, Frank Neese

J Chem Phys· April 2017

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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, Edward F Valeev, Frank Neese

J Chem Phys· January 2016

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Magnetic resonance imaging findings of the lumbar spine in elite horseback riders: correlations with back pain, body mass index, trunk/leg-length coefficient, and riding discipline.
Clayton N Kraft, Peter H Pennekamp, Ute Becker, Mei Young, Oliver Diedrich

Am J Sports Med· November 2009

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Local adaptation in the monocarpic perennial Carlina vulgaris at different spatial scales across Europe.
Ute Becker, Guy Colling, Petr Dostal, Anna Jakobsson, Diethart Matthies

Oecologia· December 2006

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Phenotypic plasticity in Carlina vulgaris: effects of geographical origin, population size, and population isolation.
Henrik Berg, Ute Becker, Diethart Matthies

Oecologia· March 2005

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Modulation of angiogenesis-related protein synthesis by valproic acid.
Dimitrios Zgouras, Ute Becker, Stefan Loitsch, Jürgen Stein

Biochem Biophys Res Commun· April 2004

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