Werner Kutzelnigg

Research.com Recognitions

• 1996 - Liebig-Denkmünze (Liebig Medal), Society of German Chemists

Overview

Best Publications

• Chemical Bonding in Higher Main Group Elements

  Werner Kutzelnigg

  1257
  Citations

• Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules

  Michael Schindler;Werner Kutzelnigg

  893
  Citations

• Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities

  W. Kutzelnigg

  843
  Citations

• r12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l

  Werner Kutzelnigg

  839
  Citations

• Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theory

  Werner Kutzelnigg;Wim Klopper

  715
  Citations

• The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic Susceptibilities

  Werner Kutzelnigg;Ulrich Fleischer;Michael Schindler

  707
  Citations

• Rates of convergence of the partial‐wave expansions of atomic correlation energies

  Werner Kutzelnigg;John D. Morgan

  684
  Citations

• Quasirelativistic theory equivalent to fully relativistic theory.

  Werner Kutzelnigg;Wenjian Liu

  571
  Citations

• Quantum chemistry in Fock space. I. The universal wave and energy operators

  Werner Kutzelnigg

  431
  Citations

• Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

  Jozef Noga;Werner Kutzelnigg

  398
  Citations

• Basis set expansion of the dirac operator without variational collapse

  Werner Kutzelnigg

  390
  Citations

• Die chemische Bindung bei den höheren Hauptgruppenelementen

  Werner Kutzelnigg

  386
  Citations

• Møller-plesset calculations taking care of the correlation CUSP

  Wim Klopper;Werner Kutzelnigg

  374
  Citations

• Cumulant expansion of the reduced density matrices

  Werner Kutzelnigg;Debashis Mukherjee

  341
  Citations

• Normal order and extended Wick theorem for a multiconfiguration reference wave function

  Werner Kutzelnigg;Debashis Mukherjee

  329
  Citations

• Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many‐Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation

  Werner Kutzelnigg

  318
  Citations

• CC-R12, a correlation cusp corrected coupled-cluster method with a pilot application to the Be2 potential curve

  Josef Noga;Werner Kutzelnigg;Wim Klopper

  300
  Citations

• PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed‐shell states

  R. Ahlrichs;H. Lischka;V. Staemmler;W. Kutzelnigg

  295
  Citations

• IGLO STUDY OF BENZENE AND SOME OF ITS ISOMERS AND RELATED MOLECULES. SEARCH FOR EVIDENCE OF THE RING CURRENT MODEL

  U. Fleischer;W. Kutzelnigg;P. Lazzeretti;V. Muehlenkamp

  286
  Citations

• Refined abinitio calculation of the potential energy surface of the He–H2 interaction with special emphasis to the region of the van der Waals minimum

  Wilfried Meyer;Puthugraman C. Hariharan;Werner Kutzelnigg

  264
  Citations

• PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

  R. Ahlrichs;F. Driessler;H. Lischka;V. Staemmler

  264
  Citations