Concepedia

Péter Pulay

PP

198

Publications

37.1K

Citations

77

H-Index

1968

Active since

Affiliations

University of Arkansas at Fayetteville(Current)

Eötvös Loránd University

The University of Texas at Austin

Hungarian Academy of Sciences

Parallel Quantum Solutions (United States)

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

Top concepts

EngineeringNatural SciencesComputational ChemistryQuantum ChemistryPhysicsChemistryPhysical ChemistryBiophysicsApplied PhysicsNumerical Analysis

Publications per year

1968–2020

198

Publications

198

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 · 1990 · 6.7K citations

Magnetic Resonance, Altmetric Attention Score, Computational Chemistry +17

Convergence acceleration of iterative sequences. the case of scf iteration

Péter Pulay · Chemical Physics Letters · 1980 · 2.5K citations

Numerical Analysis, Convergence Acceleration, Convergence Analysis

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1969 · 2.4K citations

Total Energy, Molecular Kinetics, Engineering +15

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

Engineering, Chemical Analysis, Altmetric Attention Score +17

Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields

Guntram Rauhut, Péter Pulay · The Journal of Physical Chemistry · 1995 · 1.9K citations

Engineering, Multiscale Mechanics, Mechanical Engineering +28

Rows per page

1–5 of 198