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 64 Citations 16,436 145 World Ranking 3965 National Ranking 234

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Molecule
  • Electron

Peter R. Taylor mainly focuses on Atomic physics, Configuration interaction, Ab initio quantum chemistry methods, Molecule and Basis set. His work deals with themes such as Electronic correlation, Gaussian, Perturbation theory and Molecular orbital, which intersect with Atomic physics. His Configuration interaction study incorporates themes from Electronic structure, Excitation, Wave function and Analytical chemistry.

His Ab initio quantum chemistry methods research is multidisciplinary, incorporating perspectives in Computational chemistry, Ab initio and Anharmonicity. The various areas that Peter R. Taylor examines in his Computational chemistry study include Electronic states and Thermodynamics. In his study, Subspace topology is inextricably linked to Atomic orbital, which falls within the broad field of Molecule.

His most cited work include:

  • A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach (2312 citations)
  • General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atoms (912 citations)
  • A diagnostic for determining the quality of single‐reference electron correlation methods (595 citations)

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

His primary areas of study are Atomic physics, Configuration interaction, Computational chemistry, Ab initio and Basis set. The Atomic physics study which covers Electronic correlation that intersects with Molecular physics. His research in Configuration interaction intersects with topics in Bond length, Chemical bond, Binding energy and Bond-dissociation energy.

His Computational chemistry research focuses on Molecule and how it relates to Atomic orbital. His Ab initio research includes elements of Anharmonicity, Ab initio quantum chemistry methods, Fermi resonance and Potential energy. His Basis set study is related to the wider topic of Quantum mechanics.

He most often published in these fields:

  • Atomic physics (48.69%)
  • Configuration interaction (25.65%)
  • Computational chemistry (27.75%)

What were the highlights of his more recent work (between 2002-2021)?

  • Atomic physics (48.69%)
  • Wave function (19.90%)
  • Ab initio quantum chemistry methods (20.94%)

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

His scientific interests lie mostly in Atomic physics, Wave function, Ab initio quantum chemistry methods, Quantum mechanics and Ab initio. The study incorporates disciplines such as Coupling matrix and Complete active space in addition to Atomic physics. His Wave function research incorporates elements of Configuration interaction, Potential energy and Spin.

His studies in Ab initio quantum chemistry methods integrate themes in fields like Deuterium, Spin states and Computational chemistry. Peter R. Taylor has researched Computational chemistry in several fields, including Molecule and Ground state. In Ab initio, he works on issues like Quantum chemical, which are connected to Electronic states, Energetics, Dissociation, Bond-dissociation energy and Basis set superposition error.

Between 2002 and 2021, his most popular works were:

  • A diagnostic for determining the quality of single‐reference electron correlation methods (595 citations)
  • Dalton, a molecular electronic structure program (556 citations)
  • High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report. (134 citations)

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

  • Quantum mechanics
  • Molecule
  • Electron

The scientist’s investigation covers issues in Spin states, Ab initio quantum chemistry methods, Computational chemistry, Molecule and Coupled cluster. His studies deal with areas such as Ab initio and Density functional theory as well as Spin states. He has included themes like Electronic states and Energetics in his Molecule study.

The concepts of his Coupled cluster study are interwoven with issues in Molecular physics, Point, Basis set and Limit. In his work, Configuration interaction and Wave function is strongly intertwined with Range, which is a subfield of Electronic structure. As part of his studies on Atomic physics, he often connects relevant areas like Quantum mechanics.

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

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

Björn O. Roos;Peter R. Taylor;Per E.M. Si≐gbahn.
Chemical Physics (1980)

3418 Citations

General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atoms

Jan Almlöf;Peter R. Taylor.
Journal of Chemical Physics (1987)

1254 Citations

A diagnostic for determining the quality of single‐reference electron correlation methods

Timothy J. Lee;Peter R. Taylor.
International Journal of Quantum Chemistry (2009)

1006 Citations

Dalton, a molecular electronic structure program

H. Agren;David John. Wilson;O. Vahtras;P. R. Taylor.
(2005)

556 Citations

Basis set convergence of the interaction energy of hydrogen-bonded complexes

Asger Halkier;Wim Klopper;Trygve Helgaker;Poul Jo.
Journal of Chemical Physics (1999)

398 Citations

The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

Jan M. L. Martin;Timothy J. Lee;Peter R. Taylor;Jean‐Pierre François.
Journal of Chemical Physics (1995)

376 Citations

Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

Timothy J. Lee;Alistair P. Rendell;Peter R. Taylor.
The Journal of Physical Chemistry (1990)

343 Citations

Benchmark full configuration‐interaction calculations on H2O, F, and F−

Charles W. Bauschlicher;Peter R. Taylor.
Journal of Chemical Physics (1986)

302 Citations

A full CI treatment of the 1A1-3B1 separation in methylene

Charles W. Bauschlicher;Peter R. Taylor.
Journal of Chemical Physics (1986)

296 Citations

Benchmark full configuration-interaction calculations on HF and NH2

Charles W. Bauschlicher;Stephen R. Langhoff;Peter R. Taylor;Nicholas C. Handy.
Journal of Chemical Physics (1986)

240 Citations

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