Robert J. Buenker

Overview

Best Publications

• Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

  Robert J. Buenker;Sigrid D. Peyerimhoff;Werner Butscher

  1348
  Citations

• Energy Extrapolation in CI Calculations

  Robert J. Buenker;Sigrid D. Peyerimhoff

  1277
  Citations

• Implementation of the table CI method: Matrix elements between configurations with the same number of open-shells

  Robert J. Buenker;Robin A. Phillips

  842
  Citations

• Individualized configuration selection in CI calculations with subsequent energy extrapolation

  Robert J. Buenker;Sigrid D. Peyerimhoff

  776
  Citations

• The ground state of the CN+ ion: a multi-reference Ci study

  Pablo J. Bruna;Sigrid D. Peyerimhoff;Robert J. Buenker

  435
  Citations

• Electronically excited and ionized states of the chlorine molecule

  Sigrid D. Peyerimhoff;Robert J. Buenker

  354
  Citations

• Molecular geometry and the Mulliken-Walsh molecular orbital model. Ab initio study

  Robert J. Buenker;Sigrid D. Peyerimhoff

  313
  Citations

• A new table-direct configuration interaction method for the evaluation of Hamiltonian matrix elements in a basis of linear combinations of spin-adapted functions

  Stefan Krebs;Robert J. Buenker

  296
  Citations

• Ab initio CI study of the stability and electronic spectrum of the HOCl molecule

  Gerhard Hirsch;Pablo J. Bruna;Sigrid D. Peyerimhoff;Robert J. Buenker

  274
  Citations

• All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene

  Robert J. Buenker;Sigrid D. Peyerimhoff

  225
  Citations

• Non-adiabatic coupling matrix elements for large CI wavefunctions

  Gerhard Hirsch;Pablo J. Bruna;Robert J. Buenker;Sigrid D. Peyerimhoff

  219
  Citations

• Comparison of perturbatively corrected energy results from multiple reference double‐excitation configuration‐interaction method calculations with exact full configuration‐interaction benchmark values

  David B. Knowles;José Ramon Alvarez‐Collado;Gerhard Hirsch;Robert J. Buenker

  212
  Citations

• Theoretical prediction of the potential curves for the lowest‐lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the abinitio MRD‐CI method

  Pablo J. Bruna;Sigrid D. Peyerimhoff;Robert J. Buenker

  204
  Citations

• Calculations on the electronic spectrum of water

  Robert J. Buenker;Sigrid D. Peyerimhoff

  201
  Citations

• Combining perturbation theory techniques with variational CI calculations to study molecular excited states

  Robert J. Buenker

  193
  Citations

• Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO

  Rainer Klotz;Christel M. Marian;Sigrid D. Peyerimhoff;Bernd A. Hess

  192
  Citations

• Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low‐Lying States of Formaldehyde

  Robert J. Buenker;Sigrid D. Peyerimhoff

  191
  Citations

• Ab initiostudy of NO2: Part II: Non-adiabatic coupling between the two lowest2A′ states and the construction of a diabatic representation

  Gerhard Hirsch;Robert J. Buenker;Carlo Petrongolo

  179
  Citations

• NONADIABATIC TREATMENT OF THE INTENSITY DISTRIBUTION IN THE V-N BANDS OF ETHYLENE

  C. Petrongolo;R. J. Buenker;S. D. Peyerimhoff

  176
  Citations

• CI method for the study of general molecular potentials

  Robert J. Buenker;Sigrid D. Peyerimhoff

  172
  Citations