Reinhart Ahlrichs

Research.com Recognitions

• 2000 - Liebig-Denkmünze (Liebig Medal), Society of German Chemists

Overview

Best Publications

• Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

  Florian Weigend;Reinhart Ahlrichs

  35986
  Citations

• ELECTRONIC STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS: THE PROGRAM SYSTEM TURBOMOLE

  Reinhart Ahlrichs;Michael Bär;Marco Häser;Hans Horn

  15191
  Citations

• Fully optimized contracted Gaussian basis sets for atoms Li to Kr

  Ansgar Schäfer;Hans Horn;Reinhart Ahlrichs

  10887
  Citations

• Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

  Ansgar Schäfer;Christian Huber;Reinhart Ahlrichs

  10399
  Citations

• Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

  Rüdiger Bauernschmitt;Reinhart Ahlrichs

  9915
  Citations

• Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials

  Karin Eichkorn;Florian Weigend;Oliver Treutler;Reinhart Ahlrichs

  5119
  Citations

• Auxiliary basis sets to approximate Coulomb potentials

  Karin Eichkorn;Oliver Treutler;Holger Öhm;Marco Häser

  4142
  Citations

• Efficient molecular numerical integration schemes

  Oliver Treutler;Reinhart Ahlrichs

  3774
  Citations

• RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

  Florian Weigend;Marco Häser;Holger Patzelt;Reinhart Ahlrichs

  3176
  Citations

• Adiabatic time-dependent density functional methods for excited state properties

  Filipp Furche;Reinhart Ahlrichs

  2578
  Citations

• Auxiliary basis sets to approximate Coulomb potentials (Chem. Phys. Letters 240 (1995) 283-290)

  K Eichkorn;O Treutler;H Öhm;M Häser

  2399
  Citations

• Improvements on the direct SCF method

  Marco Häser;Reinhart Ahlrichs

  1387
  Citations

• Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr

  Florian Weigend;Filipp Furche;Reinhart Ahlrichs

  1339
  Citations

• STABILITY ANALYSIS FOR SOLUTIONS OF THE CLOSED SHELL KOHN-SHAM EQUATION

  Rüdiger Bauernschmitt;Reinhart Ahlrichs

  1251
  Citations

• The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

  Robert J. Gdanitz;Reinhart Ahlrichs

  1243
  Citations

• Turbomole

  Filipp Furche;Reinhart Ahlrichs;Christof Hättig;Wim Klopper

  1177
  Citations

• Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation

  Marek Sierka;Annika Hogekamp;Reinhart Ahlrichs

  1177
  Citations

• CALCULATION OF EXCITATION ENERGIES WITHIN TIME-DEPENDENT DENSITY FUNCTIONAL THEORY USING AUXILIARY BASIS SET EXPANSIONS

  Rüdiger Bauernschmitt;Marco Häser;Oliver Treutler;Reinhart Ahlrichs

  855
  Citations

• Performance of parallel TURBOMOLE for density functional calculations

  Malte Von Arnim;Reinhart Ahlrichs

  788
  Citations

• An efficient implementation of second analytical derivatives for density functional methods

  Peter Deglmann;Filipp Furche;Reinhart Ahlrichs

  710
  Citations