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 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.
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.
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.
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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)
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)
A diagnostic for determining the quality of single‐reference electron correlation methods
Timothy J. Lee;Peter R. Taylor.
International Journal of Quantum Chemistry (2009)
Dalton, a molecular electronic structure program
H. Agren;David John. Wilson;O. Vahtras;P. R. Taylor.
(2005)
Basis set convergence of the interaction energy of hydrogen-bonded complexes
Asger Halkier;Wim Klopper;Trygve Helgaker;Poul Jo.
Journal of Chemical Physics (1999)
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)
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)
Benchmark full configuration‐interaction calculations on H2O, F, and F−
Charles W. Bauschlicher;Peter R. Taylor.
Journal of Chemical Physics (1986)
A full CI treatment of the 1A1-3B1 separation in methylene
Charles W. Bauschlicher;Peter R. Taylor.
Journal of Chemical Physics (1986)
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)
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