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
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 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.
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.
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.
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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)
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)
Infrared intensities and Raman-scattering activities within density-functional theory
Dirk Porezag;Mark R. Pederson.
Physical Review B (1996)
Nanocapillarity in fullerene tubules.
Mark R. Pederson;Jeremy Q. Broughton.
Physical Review Letters (1992)
Variational mesh for quantum-mechanical simulations.
Mark R. Pederson;Koblar A. Jackson.
Physical Review B (1990)
Accurate forces in a local-orbital approach to the local-density approximation.
Koblar Jackson;Mark R. Pederson.
Physical Review B (1990)
Magnetic anisotropy barrier for spin tunneling in Mn 12 O 12 molecules
M. R. Pederson;S. N. Khanna.
Physical Review B (1999)
Optimization of Gaussian basis sets for density-functional calculations
Dirk Porezag;Mark R. Pederson.
Physical Review A (1999)
Towards structure–property–function relationships for eumelanin
Paul Meredith;Ben J. Powell;Jennifer Riesz;Stephen P. Nighswander-Rempel.
Soft Matter (2006)
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)
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