Concepedia

Dipole and quadrupole moments of small molecules. An ab initio study using perturbatively corrected, multi-reference, configuration interaction wave functions

Peter Bündgen, Friedrich Grein, Ajit J. Thakkar

Journal of Molecular Structure THEOCHEM · 1995 · 53 citations · 67 references

DOI

Concepts

References

67

Microwave molecular spectra

Journal of Molecular Structure · 1972 · 2.4K citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1974 · 1.3K citations

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Medium-size polarized basis sets for high-level correlated calculations of molecular electric properties

Andrzej J. Sadlej · Collection of Czechoslovak Chemical Communications · 1988 · 1.1K citations

, , +17

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 · Molecular Physics · 1978 · 1K citations

, , +14

Energy extrapolation in CI calculations

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1975 · 1K citations

, , +3