Volker Staemmler

Overview

Best Publications

• Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work Function

  Paul S. Bagus;Volker Staemmler;Christof Wöll

  426
  Citations

• Molecular adsorption on oxide surfaces: Electronic structure and orientation of NO on NiO(100)/Ni(100) and on NiO(100) as determined from electron spectroscopies and ab initio cluster calculations

  H. Kuhlenbeck;G. Odörfer;R. Jaeger;G. Illing

  316
  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

• Detailed study of pyridine at the C 1s and N 1s ionization thresholds: The influence of the vibrational fine structure

  C. Kolczewski;R. Puttner;O. Plashkevych;Hans Ågren

  292
  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

• A multi-configuration reference CEPA method based on pair natural orbitals

  Reinhold Fink;Volker Staemmler

  252
  Citations

• Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds

  Konstantinos Kotsis;Volker Staemmler

  249
  Citations

• Photodissociation dynamics of H2O and D2O in the first absorption band: A complete abinitio treatment

  V. Engel;R. Schinke;V. Staemmler

  226
  Citations

• Photodissociation of water in the first absorption band: A prototype for dissociation on a repulsive potential energy surface

  V. Engel;V. Staemmler;R. L. Vander Wal;F. F. Crim

  221
  Citations

• Stabilization of polar ZnO surfaces: validating microscopic models by using CO as a probe molecule.

  V. Staemmler;K. Fink;B. Meyer;D. Marx

  213
  Citations

• CEPA calculations of potential energy surfaces for open-shell systems.: IV. Photodissociation of H2O in the A1B1 state

  Volker Staemmler;Amadeo Palma

  202
  Citations

• Strong relaxations at the Cr2O3(0001) surface as determined via low-energy electron diffraction and molecular dynamics simulations

  F. Rohr;M. Bäumer;H.-J. Freund;J.A. Mejias

  182
  Citations

• A theoretical study of the structure of cyclobutadiene

  H. Kollmar;V. Staemmler

  172
  Citations

• Violation of Hund's rule by spin polarization in molecules

  H. Kollmar;V. Staemmler

  167
  Citations

• An efficient first-order CASSCF method based on the renormalized Fock-operator technique

  U. Meier;V. Staemmler

  156
  Citations

• Computed potential hypersurface (including electron correlation) of the system Li+/H2

  W. Kutzelnigg;V. Staemmler;C. Hoheisel

  146
  Citations

• Near hartree-fock energy and equilibrium geometry of CH+5

  V. Dyczmons;V. Staemmler;W. Kutzelnigg

  131
  Citations

• Electronic surface state of NiO (100)

  A. Freitag;V. Staemmler;D. Cappus;C.A. Ventrice

  130
  Citations

• Theoretical investigation of weak hydrogen bonds to sulfur

  F. Wennmohs;V. Staemmler;M. Schindler

  128
  Citations

• CEPA calculations on open-shell molecules. I. Outline of the method

  Volker Staemmler;Ralph Jaquet

  125
  Citations