1998 - German National Academy of Sciences Leopoldina - Deutsche Akademie der Naturforscher Leopoldina – Nationale Akademie der Wissenschaften Chemistry
1991 - Fellow of American Physical Society (APS) Citation For outstanding contributions to the development of ab initio methods in theoretical molecular structure and their application to wide variety of molecular species and processes
1988 - Member of Academia Europaea
Sigrid D. Peyerimhoff mainly investigates Atomic physics, Ab initio, Excited state, Ground state and Rydberg formula. Sigrid D. Peyerimhoff has included themes like Ion, Bond length and Excitation in her Atomic physics study. Her work carried out in the field of Ab initio brings together such families of science as Molecular physics, Molecular electronic transition, Molecule, Transition dipole moment and Computational chemistry.
Her Computational chemistry research integrates issues from Energy, Perturbation theory and Applied mathematics. Her research on Excited state also deals with topics like
Her main research concerns Atomic physics, Ab initio, Configuration interaction, Excited state and Computational chemistry. The concepts of her Atomic physics study are interwoven with issues in Ion, Rydberg formula and Excitation. The various areas that Sigrid D. Peyerimhoff examines in her Ab initio study include Molecular electronic transition, Molecule, Ab initio quantum chemistry methods, Physical chemistry and Molecular physics.
As a part of the same scientific study, Sigrid D. Peyerimhoff usually deals with the Configuration interaction, concentrating on Bond length and frequently concerns with Molecular geometry. Her Excited state research includes elements of Photodissociation, Dipole and Dissociation. Her work deals with themes such as Crystallography and Triatomic molecule, which intersect with Computational chemistry.
Her primary areas of study are Atomic physics, Excited state, Configuration interaction, Ab initio and Ab initio quantum chemistry methods. Her Atomic physics study combines topics from a wide range of disciplines, such as Spectral line, Excitation and Spectrum. Her Excited state research includes themes of Photodissociation, Photochemistry and Dissociation.
Her studies in Configuration interaction integrate themes in fields like Oscillator strength, Computational chemistry, Electronic structure, Molecular electronic transition and Absorption spectroscopy. Her research investigates the connection between Computational chemistry and topics such as Molecule that intersect with issues in Spin–orbit interaction and Dipole. Her Ab initio study frequently draws parallels with other fields, such as Physical chemistry.
Her scientific interests lie mostly in Atomic physics, Molecule, Ab initio quantum chemistry methods, Configuration interaction and Ab initio. The Atomic physics study combines topics in areas such as Ion and Spectrum. Her Molecule research incorporates elements of Dipole and Spin–orbit interaction.
Her work in Ab initio quantum chemistry methods covers topics such as Coupling constant which are related to areas like Vibronic spectroscopy. Her Configuration interaction research is multidisciplinary, incorporating elements of Computational chemistry, Electronic correlation, Molecular electronic transition and Scattering. Ab initio and Oxygen are commonly linked in her work.
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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)
Energy Extrapolation in CI Calculations
Robert J. Buenker;Sigrid D. Peyerimhoff.
Theoretical Chemistry Accounts (1975)
Individualized configuration selection in CI calculations with subsequent energy extrapolation
Robert J. Buenker;Sigrid D. Peyerimhoff.
Theoretical Chemistry Accounts (1974)
The ground state of the CN+ ion: a multi-reference Ci study
Pablo J. Bruna;Sigrid D. Peyerimhoff;Robert J. Buenker.
Chemical Physics Letters (1980)
Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach
Yirong Mo;Jiali Gao;Sigrid D. Peyerimhoff.
Journal of Chemical Physics (2000)
Electronically excited and ionized states of the chlorine molecule
Sigrid D. Peyerimhoff;Robert J. Buenker.
principles and practice of constraint programming (1981)
Theoretical analysis of electronic delocalization
Yirong Mo;Sigrid D. Peyerimhoff.
Journal of Chemical Physics (1998)
Molecular geometry and the Mulliken-Walsh molecular orbital model. Ab initio study
Robert J. Buenker;Sigrid D. Peyerimhoff.
Chemical Reviews (1974)
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.
Chemical Physics Letters (1977)
All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene
Robert J. Buenker;Sigrid D. Peyerimhoff.
principles and practice of constraint programming (1975)
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