2023 - Research.com Chemistry in Hungary Leader Award
Member of the European Academy of Sciences and Arts
The scientist’s investigation covers issues in Coupled cluster, Atomic physics, Configuration interaction, Multireference configuration interaction and Quantum mechanics. His work deals with themes such as Born–Oppenheimer approximation, Excited state, Basis set and Applied mathematics, which intersect with Coupled cluster. His Atomic physics study integrates concerns from other disciplines, such as Standard enthalpy of formation, Ab initio, Ab initio quantum chemistry methods and Thermochemistry.
His work investigates the relationship between Ab initio quantum chemistry methods and topics such as Scaling that intersect with problems in Electronic correlation. He studied Multireference configuration interaction and Wave function that intersect with Computation, Statistical physics, Configuration space and Variational perturbation theory. In general Quantum mechanics, his work in Field, Vibronic coupling, Cluster and Amplitude is often linked to Algebraic expression linking many areas of study.
Péter G. Szalay focuses on Atomic physics, Coupled cluster, Excited state, Ab initio and Computational chemistry. The study incorporates disciplines such as Anharmonicity, Computational physics, Basis set and Potential energy surface in addition to Atomic physics. As part of the same scientific family, Péter G. Szalay usually focuses on Anharmonicity, concentrating on Thermochemistry and intersecting with Standard enthalpy of formation.
His Coupled cluster study combines topics in areas such as Configuration interaction, Energy, Statistical physics and Wave function. His Excited state study combines topics from a wide range of disciplines, such as Valence, Excitation and Rydberg formula. His Ab initio research includes elements of Electronic correlation, Ab initio quantum chemistry methods, Molecular physics, Electronic structure and Ground state.
Péter G. Szalay spends much of his time researching Excited state, Excitation, Atomic physics, Potential energy and Coupled cluster. His Excited state research incorporates themes from Field and Electronic correlation, Molecule. He interconnects Valence, Rydberg formula and Statistical physics in the investigation of issues within Excitation.
In his research, he undertakes multidisciplinary study on Atomic physics and Base pair. His study in Potential energy is interdisciplinary in nature, drawing from both Charge, Ab initio, Potential energy surface and Ground state. His research integrates issues of Computational physics and Data science in his study of Coupled cluster.
Coupled cluster, Excited state, Statistical physics, Excitation and Data science are his primary areas of study. Péter G. Szalay combines subjects such as Valence, Rydberg formula, Perturbation and Atomic physics with his study of Coupled cluster. His work often combines Excited state and Benchmark studies.
His research in Statistical physics intersects with topics in Molecule, Quantum chemical and Ground state. His Excitation study incorporates themes from Charge, Energy, Set and Computational physics. Péter G. Szalay integrates many fields, such as Data science, Speculation, Background information and Presentation, in his works.
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.
HEAT: High accuracy extrapolated ab initio thermochemistry.
Attila Tajti;Péter G. Szalay;Péter G. Szalay;Attila G. Császár;Mihály Kállay.
Journal of Chemical Physics (2004)
Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
Péter G. Szalay;Thomas Müller;Gergely Gidofalvi;Hans Lischka.
Chemical Reviews (2012)
Multi-reference averaged quadratic coupled-cluster method: a size-extensive modification of multi-reference CI
Péter G. Szalay;Rodney J. Bartlett.
Chemical Physics Letters (1993)
A progress report on the status of the COLUMBUS MRCI program system
Ron Shepard;Isaiah Shavitt;Russell M. Pitzer;Donald C. Comeau.
International Journal of Quantum Chemistry (1988)
High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density
Hans Lischka;Ron Shepard;Russell M. Pitzer;Isaiah Shavitt;Isaiah Shavitt.
Physical Chemistry Chemical Physics (2001)
High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification.
Yannick J. Bomble;Juana Vázquez;Mihály Kállay;Christine Michauk.
Journal of Chemical Physics (2006)
IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I
Branko Ruscic;James E. Boggs;Alexander Burcat;Attila G. Császár.
Journal of Physical and Chemical Reference Data (2005)
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism.
Hans Lischka;Michal Dallos;Péter G. Szalay;David R. Yarkony.
Journal of Chemical Physics (2004)
A general state-selective multireference coupled-cluster algorithm
Mihály Kállay;Péter G. Szalay;Péter R. Surján.
Journal of Chemical Physics (2002)
Approximately extensive modifications of the multireference configuration interaction method: A theoretical and practical analysis
Péter G. Szalay;Rodney J. Bartlett.
Journal of Chemical Physics (1995)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:
Texas Tech University
University of Florida
Johannes Gutenberg University of Mainz
University of Florida
Eötvös Loránd University
Leibniz Association
Texas Tech University
University of Vienna
Heidelberg University
The Ohio State University
Carleton University
Sandia National Laboratories
Chinese Academy of Sciences
University of Science and Technology of China
Lancaster University
University of Alabama
Miguel Hernandez University
University of Illinois at Chicago
Wayne State University
University of Oslo
Grenoble Alpes University
Cincinnati Children's Hospital Medical Center
University College London
University of Washington
Max Planck Society
Max Planck Society