2023 - Research.com Chemistry in Hungary Leader Award
2022 - Research.com Chemistry in Hungary Leader Award
His primary areas of study are Ab initio, Atomic physics, Ab initio quantum chemistry methods, Anharmonicity and Isotopologue. His research in Ab initio intersects with topics in Bond length, Standard enthalpy of formation, Computational chemistry, Electronic structure and Potential energy. His work carried out in the field of Atomic physics brings together such families of science as Dipole and Adiabatic process.
Attila G. Császár interconnects Born–Oppenheimer approximation, Conformational isomerism, Electronic correlation and Basis set in the investigation of issues within Ab initio quantum chemistry methods. His research integrates issues of Molecular physics and Thermochemistry in his study of Electronic correlation. Attila G. Császár has included themes like Configuration interaction and Molecule in his Molecular physics study.
Atomic physics, Ab initio, Molecule, Rotational–vibrational spectroscopy and Computational chemistry are his primary areas of study. His Atomic physics research is multidisciplinary, incorporating elements of Spectroscopy, Spectral line, Isotopologue and Coupled cluster. His Ab initio research incorporates elements of Ab initio quantum chemistry methods, Molecular physics, Electronic structure, Basis set and Anharmonicity.
His biological study spans a wide range of topics, including Dipole and Electronic correlation. His study in Molecule is interdisciplinary in nature, drawing from both Quantum and Physical chemistry. His Computational chemistry research includes elements of Crystallography and Bond length.
Attila G. Császár spends much of his time researching Rotational–vibrational spectroscopy, Spectral line, Molecular physics, Molecule and Spectroscopy. The concepts of his Rotational–vibrational spectroscopy study are interwoven with issues in Potential energy surface, Wave function, Triatomic molecule, Hamiltonian and Isotopologue. His Spectral line study combines topics from a wide range of disciplines, such as Astrophysics, Quantum, Homonuclear molecule, Atomic physics and Diatomic molecule.
His work on Electronic states as part of general Atomic physics research is often related to Ammonia, thus linking different fields of science. The Molecular physics study which covers Potential energy that intersects with Quantum tunnelling, Ab initio quantum chemistry methods, Dipole, Polarizability and Perturbation theory. Attila G. Császár combines subjects such as Quantum dynamics, Heat capacity and Partition function with his study of Molecule.
His primary areas of investigation include Spectral line, Molecular physics, Rotational–vibrational spectroscopy, Atomic physics and Molecule. His Spectral line research incorporates themes from Astrophysics and Diatomic molecule. Attila G. Császár focuses mostly in the field of Molecular physics, narrowing it down to matters related to Potential energy and, in some cases, Quantum tunnelling, Electric dipole moment, Basis set, Ab initio and Polarizability.
Attila G. Császár has researched Rotational–vibrational spectroscopy in several fields, including Quantum number, Metastability, Dissociation, Isotopologue and Scaling. His Atomic physics research is multidisciplinary, incorporating perspectives in Heat capacity and Partition function. His Molecule research includes themes of Spectroscopy, Thermochemistry, Ideal gas, Isobaric process and Enthalpy.
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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)
In pursuit of the ab initio limit for conformational energy prototypes
Attila G. Császár;Wesley D. Allen;Henry F. Schaefer.
Journal of Chemical Physics (1998)
A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules
Wesley D. Allen;Wesley D. Allen;Yukio Yamaguchi;Yukio Yamaguchi;Attila G. Császár;Attila G. Császár;D.Allen Clabo;D.Allen Clabo.
Chemical Physics (1990)
Conformers of gaseous glycine
Attila G. Csaszar.
Journal of the American Chemical Society (1992)
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)
High-Accuracy ab Initio Rotation-Vibration Transitions for Water
Oleg L. Polyansky;Attila G. Csaszar;Sergei V. Shirin;Nikolai F. Zobov.
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)
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part II. Energy Levels and Transition Wavenumbers for HD16O, HD17O, and HD18O
Jonathan Tennyson;Peter F. Bernath;Linda R. Brown;Alain Campargue.
Journal of Quantitative Spectroscopy & Radiative Transfer (2010)
Capture of hydroxymethylene and its fast disappearance through tunnelling
Peter R. Schreiner;Hans Peter Reisenauer;Frank C. Pickard;Andrew C. Simmonett.
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
Jonathan Tennyson;Peter F. Bernath;Alain Campargue;Attila G. Császár.
Pure and Applied Chemistry (2014)
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