D-Index & Metrics Best Publications
Sigrid D. Peyerimhoff

Sigrid D. Peyerimhoff

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 80 Citations 21,879 419 World Ranking 2022 National Ranking 161
Physics D-index 80 Citations 21,679 376 World Ranking 2216 National Ranking 194

Research.com Recognitions

Awards & Achievements

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

Overview

What is she best known for?

The fields of study she is best known for:

  • Quantum mechanics
  • Molecule
  • Electron

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

  • Photodissociation most often made with reference to Dissociation,
  • Polyatomic ion together with Potential curves. Her research in Rydberg formula intersects with topics in Ab initio quantum chemistry methods, Avoided crossing, Atomic orbital, Valence and Ionization energy.

Her most cited work include:

  • Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques (800 citations)
  • Energy Extrapolation in CI Calculations (779 citations)
  • Individualized configuration selection in CI calculations with subsequent energy extrapolation (455 citations)

What are the main themes of her work throughout her whole career to date?

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.

She most often published in these fields:

  • Atomic physics (61.17%)
  • Ab initio (45.34%)
  • Configuration interaction (30.59%)

What were the highlights of her more recent work (between 1998-2010)?

  • Atomic physics (61.17%)
  • Excited state (29.28%)
  • Configuration interaction (30.59%)

In recent papers she was focusing on the following fields of study:

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.

Between 1998 and 2010, her most popular works were:

  • Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach (260 citations)
  • Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds (91 citations)
  • Theory and Experiment in Concert: Templated Synthesis of Amide Rotaxanes, Catenanes, and Knots (55 citations)

In her most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Molecule
  • Electron

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

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.
Molecular Physics (1978)

1315 Citations

Energy Extrapolation in CI Calculations

Robert J. Buenker;Sigrid D. Peyerimhoff.
Theoretical Chemistry Accounts (1975)

1262 Citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker;Sigrid D. Peyerimhoff.
Theoretical Chemistry Accounts (1974)

728 Citations

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)

431 Citations

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)

390 Citations

Electronically excited and ionized states of the chlorine molecule

Sigrid D. Peyerimhoff;Robert J. Buenker.
principles and practice of constraint programming (1981)

349 Citations

Theoretical analysis of electronic delocalization

Yirong Mo;Sigrid D. Peyerimhoff.
Journal of Chemical Physics (1998)

332 Citations

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

Robert J. Buenker;Sigrid D. Peyerimhoff.
Chemical Reviews (1974)

312 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.
Chemical Physics Letters (1977)

273 Citations

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)

223 Citations

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