D-Index & Metrics Best Publications

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 52 Citations 34,287 260 World Ranking 9647 National Ranking 2774

Research.com Recognitions

Awards & Achievements

1999 - Fellow of American Physical Society (APS) Citation For significantly enhancing the densityfunctionalbased predictive capabilities in molecular and cluster physics by unique developments, implementations and applications of novel computational algorithms

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Electron
  • Molecule

His primary scientific interests are in Condensed matter physics, Electronic structure, Density functional theory, Molecular physics and Atomic physics. His Condensed matter physics research incorporates themes from Magnetic anisotropy, Molecular electronics and Ground state. His research integrates issues of Electronic correlation and Spin-½ in his study of Ground state.

The study incorporates disciplines such as Atoms in molecules, Ionization energy and Surface energy in addition to Electronic correlation. His research in Electronic structure is mostly concerned with Local-density approximation. His research in Molecular physics intersects with topics in Symmetry, Unrestricted Hartree–Fock, Molecule and Delocalized electron.

His most cited work include:

  • Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. (14781 citations)
  • Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation [Phys. Rev. B 46, 6671 (1992)] (1373 citations)
  • Infrared intensities and Raman-scattering activities within density-functional theory (391 citations)

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

His scientific interests lie mostly in Electronic structure, Condensed matter physics, Molecule, Molecular physics and Density functional theory. Mark R. Pederson interconnects Crystallography, Magnetic moment, Cluster, Atomic physics and Molecular vibration in the investigation of issues within Electronic structure. His study in Condensed matter physics is interdisciplinary in nature, drawing from both Magnetic anisotropy and Anisotropy.

His Molecule study which covers Raman spectroscopy that intersects with Infrared, Infrared spectroscopy and Spectral line. Dipole is closely connected to Polarizability in his research, which is encompassed under the umbrella topic of Molecular physics. His work carried out in the field of Density functional theory brings together such families of science as Fermi Gamma-ray Space Telescope, Ionization energy, Diatomic molecule and Ground state.

He most often published in these fields:

  • Electronic structure (28.38%)
  • Condensed matter physics (24.75%)
  • Molecule (25.41%)

What were the highlights of his more recent work (between 2011-2021)?

  • Quantum mechanics (9.90%)
  • Molecule (25.41%)
  • Density functional theory (21.12%)

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

The scientist’s investigation covers issues in Quantum mechanics, Molecule, Density functional theory, Condensed matter physics and Fermi Gamma-ray Space Telescope. Mark R. Pederson has included themes like Molecular physics, Hamiltonian, Molecular magnets and Anisotropy in his Molecule study. His Density functional theory study combines topics from a wide range of disciplines, such as Infrared and Atomic physics, Ground state.

His Condensed matter physics study combines topics in areas such as Magnet and Single-molecule magnet. His Fermi Gamma-ray Space Telescope research is multidisciplinary, incorporating perspectives in Electronic structure, Ionization energy and Self consistency. His work in Electronic structure tackles topics such as Fermi level which are related to areas like Thomas–Fermi model.

Between 2011 and 2021, his most popular works were:

  • Communication: self-interaction correction with unitary invariance in density functional theory. (108 citations)
  • Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms (53 citations)
  • Full self-consistency in the Fermi-orbital self-interaction correction (38 citations)

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

  • Quantum mechanics
  • Electron
  • Molecule

His primary areas of study are Quantum mechanics, Density functional theory, Molecule, Fermi Gamma-ray Space Telescope and Condensed matter physics. When carried out as part of a general Quantum mechanics research project, his work on Eigenvalues and eigenvectors, Molecular orbital, Natural bond orbital and Molecular orbital theory is frequently linked to work in Unitary state, therefore connecting diverse disciplines of study. The Molecule study combines topics in areas such as Molecular magnets, Optoelectronics and Doped graphene.

His study explores the link between Fermi Gamma-ray Space Telescope and topics such as Ionization energy that cross with problems in Diatomic molecule, Fermi level and Singlet state. His Condensed matter physics research incorporates elements of Quantum dot, Spin engineering, Magnet and Single-molecule magnet. His study on Local-density approximation is covered under Electronic structure.

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

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.

John P. Perdew;J. A. Chevary;S. H. Vosko;Koblar A. Jackson.
Physical Review B (1992)

22659 Citations

Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation [Phys. Rev. B 46, 6671 (1992)]

John P. Perdew;J. A. Chevary;S. H. Vosko;Koblar A. Jackson.
Physical Review B (1993)

2534 Citations

Infrared intensities and Raman-scattering activities within density-functional theory

Dirk Porezag;Mark R. Pederson.
Physical Review B (1996)

655 Citations

Nanocapillarity in fullerene tubules.

Mark R. Pederson;Jeremy Q. Broughton.
Physical Review Letters (1992)

598 Citations

Variational mesh for quantum-mechanical simulations.

Mark R. Pederson;Koblar A. Jackson.
Physical Review B (1990)

529 Citations

Accurate forces in a local-orbital approach to the local-density approximation.

Koblar Jackson;Mark R. Pederson.
Physical Review B (1990)

445 Citations

Magnetic anisotropy barrier for spin tunneling in Mn 12 O 12 molecules

M. R. Pederson;S. N. Khanna.
Physical Review B (1999)

355 Citations

Optimization of Gaussian basis sets for density-functional calculations

Dirk Porezag;Mark R. Pederson.
Physical Review A (1999)

309 Citations

Towards structure–property–function relationships for eumelanin

Paul Meredith;Ben J. Powell;Jennifer Riesz;Stephen P. Nighswander-Rempel.
Soft Matter (2006)

297 Citations

Local‐density Hartree–Fock theory of electronic states of molecules with self‐interaction correction

Mark R. Pederson;Richard A. Heaton;Chun C. Lin.
Journal of Chemical Physics (1984)

249 Citations

If you think any of the details on this page are incorrect, let us know.

Contact us

Best Scientists Citing Mark R. Pederson

Rajeev Ahuja

Rajeev Ahuja

Uppsala University

Publications: 128

Francesc Illas

Francesc Illas

University of Barcelona

Publications: 116

Yoshiyuki Kawazoe

Yoshiyuki Kawazoe

Tohoku University

Publications: 95

Shiv N. Khanna

Shiv N. Khanna

Virginia Commonwealth University

Publications: 84

Jürgen Hafner

Jürgen Hafner

University of Vienna

Publications: 83

Michael J. Janik

Michael J. Janik

Pennsylvania State University

Publications: 82

Wolf Gero Schmidt

Wolf Gero Schmidt

University of Paderborn

Publications: 82

Gianfranco Pacchioni

Gianfranco Pacchioni

University of Milano-Bicocca

Publications: 78

Manos Mavrikakis

Manos Mavrikakis

University of Wisconsin–Madison

Publications: 76

Geert-Jan Kroes

Geert-Jan Kroes

Leiden University

Publications: 75

Jens K. Nørskov

Jens K. Nørskov

Technical University of Denmark

Publications: 73

Jorge M. Seminario

Jorge M. Seminario

Texas A&M University

Publications: 71

John P. Perdew

John P. Perdew

Temple University

Publications: 71

Konstantin M. Neyman

Konstantin M. Neyman

University of Barcelona

Publications: 70

Lai-Sheng Wang

Lai-Sheng Wang

Brown University

Publications: 68

David S. Sholl

David S. Sholl

Georgia Institute of Technology

Publications: 67

Trending Scientists

Michael D. Myers

Michael D. Myers

University of Auckland

Martin Lettau

Martin Lettau

University of California, Berkeley

Adrian Sandu

Adrian Sandu

Virginia Tech

Marion Merklein

Marion Merklein

University of Erlangen-Nuremberg

Gyung-Jin Park

Gyung-Jin Park

Hanyang University

Andreas Liese

Andreas Liese

Hamburg University of Technology

Yun He

Yun He

Chongqing University

Gustavo H. Goldman

Gustavo H. Goldman

Universidade de São Paulo

Emyr Owen

Emyr Owen

University of Reading

Madeleine S. Günthardt-Goerg

Madeleine S. Günthardt-Goerg

Swiss Federal Institute for Forest, Snow and Landscape Research

Angela Hodge

Angela Hodge

University of York

Daniel Lüthi

Daniel Lüthi

ETH Zurich

Philipp Sterzer

Philipp Sterzer

Charité - University Medicine Berlin

Johan Sundström

Johan Sundström

Uppsala University

Louis Leung

Louis Leung

Hong Kong Shue Yan University

Something went wrong. Please try again later.