D-Index & Metrics Best Publications
Chemistry
Hungary
2023

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 10,027 124 World Ranking 9751 National Ranking 10

Research.com Recognitions

Awards & Achievements

2023 - Research.com Chemistry in Hungary Leader Award

Member of the European Academy of Sciences and Arts

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Molecule
  • Electron

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.

His most cited work include:

  • HEAT: High accuracy extrapolated ab initio thermochemistry. (523 citations)
  • HEAT: High accuracy extrapolated ab initio thermochemistry. (523 citations)
  • Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications (373 citations)

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

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.

He most often published in these fields:

  • Atomic physics (46.72%)
  • Coupled cluster (38.69%)
  • Excited state (32.12%)

What were the highlights of his more recent work (between 2015-2021)?

  • Excited state (32.12%)
  • Excitation (14.60%)
  • Atomic physics (46.72%)

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

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.

Between 2015 and 2021, his most popular works were:

  • Multireference Approaches for Excited States of Molecules. (103 citations)
  • Coupled-cluster techniques for computational chemistry: The CFOUR program package (70 citations)
  • Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets (32 citations)

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

  • Quantum mechanics
  • Molecule
  • Electron

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.

Best Publications

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)

765 Citations

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

Péter G. Szalay;Thomas Müller;Gergely Gidofalvi;Hans Lischka.
Chemical Reviews (2012)

616 Citations

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)

517 Citations

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)

449 Citations

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)

366 Citations

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)

358 Citations

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)

332 Citations

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)

313 Citations

A general state-selective multireference coupled-cluster algorithm

Mihály Kállay;Péter G. Szalay;Péter R. Surján.
Journal of Chemical Physics (2002)

273 Citations

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)

271 Citations

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