Péter Pulay - Concepedia

Author

Péter Pulay

University of Arkansas at Fayetteville ORCID

Also Known As

P Pulay, P. J. Kirby Peter, P. PULAY, P. Pulay, PETER PULAY, Peter Pulay, Peter. Pulay, Pulay Peter, Pulay, P., Pulay, Peter

278

Publications

38K

Citations

H-Index

167

Concepts

All Affiliations

University of Arkansas at Fayetteville Eötvös Loránd University The University of Texas at Austin Hungarian Academy of Sciences Parallel Quantum Solutions (United States)

About

Péter Pulay is an author at University of Arkansas at Fayetteville specializing in engineering, natural sciences, and quantum chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	71	157	22.8K
2	Natural Sciences	70	153	29.3K
3	Applied Physics	31	42	6.2K
4	Biochemistry	11	12	406
5	Medicine	6	6	7.4K

Péter Pulay

198

Publications

37.1K

Citations

H-Index

Page 1

	Year	Citations
Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations Krzysztof Woliński, James F. Hinton, Péter Pulay Journal of the American Chemical Society Magnetic ResonanceAltmetric Attention ScoreComputational ChemistryChemistrySpectra-structure Correlation	1990	6.7K
Convergence acceleration of iterative sequences. the case of scf iteration Péter Pulay Chemical Physics Letters Numerical AnalysisConvergence AccelerationConvergence Analysis	1980	2.5K
<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules Péter Pulay Molecular Physics Total EnergyMolecular KineticsEngineeringPolyatomic MoleculesPhysics	1969	2.4K
Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives Péter Pulay, Géza Fogarasi, Frank Pang, Journal of the American Chemical Society EngineeringChemical AnalysisAltmetric Attention ScoreComputational ChemistryChemistry	1979	2.1K
Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields Guntram Rauhut, Péter Pulay The Journal of Physical Chemistry EngineeringMultiscale MechanicsMechanical EngineeringDatabasesAltmetric Attention Score	1995	1.9K
Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene Péter Pulay, Géza Fogarasi, Gábor Pongor, Journal of the American Chemical Society EngineeringPhysicsPhysicochemical AnalysisNatural SciencesAltmetric Attention Score	1983	1.5K
Can (semi)local density functional theory account for the London dispersion forces? Sándor Kristyán, Péter Pulay Chemical Physics Letters Non-local InteractionPhysicsLondon Dispersion ForcesDispersionFunctional Analysis	1994	1K
The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces Géza Fogarasi, Xuefeng Zhou, Patterson W. Taylor, Journal of the American Chemical Society EngineeringAltmetric Attention ScoreBibliometricsOrganic ChemistryComputational Chemistry	1992	943
Localizability of dynamic electron correlation Péter Pulay Chemical Physics Letters Quantum DynamicPhysicsMany-body Quantum PhysicNatural SciencesQuantum Chemistry	1983	830
Local Treatment of Electron Correlation Péter Pulay Annual Review of Physical Chemistry EngineeringMachine LearningMachine Learning ToolComputational ChemistryMolecular Simulations	1993	689

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