Péter Pulay
Impact in
- Physical and Theoretical Chemistry top 0.01%
- Crystallography and molecular interactions
- Photochemistry and Electron Transfer Studies
- Spectroscopy top 0.01%
- Molecular Spectroscopy and Structure
- Molecular spectroscopy and chirality
- Advanced NMR Techniques and Applications
Papers in
-
- Advanced Chemical Physics Studies 148
- Spectroscopy and Quantum Chemical Studies 86
- Spectroscopy 87
- Molecular spectroscopy and chirality 34
- Advanced NMR Techniques and Applications 26
- Molecular Spectroscopy and Structure 26
- Co-authors
- Krzysztof Woliński (24 shared papers)James F. Hinton (11 shared papers)Géza Fogarasi (26 shared papers)James E. Boggs (21 shared papers)Guntram Rauhut (9 shared papers)Svein Sæbø (17 shared papers)Jon Baker (26 shared papers)Frank Pang (4 shared papers)
- Journals
- The Journal of Chemical Physics (41 papers)Journal of Computational Chemistry (27 papers)Chemical Physics Letters (20 papers)Journal of the American Chemical Society (17 papers)Molecular Physics (16 papers)
- Partner nations
- United StatesHungaryGermany
In The Last Decade
Péter Pulay
224 papers receiving 33.0k citations
Péter Pulay's Hit Papers
Peers
Comparison fields: 5 of 153
- Physical and Theoretical Chemistry 6.9k
- Spectroscopy 10.5k
- Atomic and Molecular Physics, and Optics 17.3k
- Organic Chemistry 10.7k
- Electronic, Optical and Magnetic Materials 6.2k
Countries citing papers authored by Péter Pulay
This map shows the geographic impact of Péter Pulay's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Péter Pulay with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Péter Pulay more than expected).
Fields of papers citing papers by Péter Pulay
This network shows the impact of papers produced by Péter Pulay. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Péter Pulay. The network helps show where Péter Pulay may publish in the future.
Co-authors
The 25 scholars most cited alongside Péter Pulay, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.
All Works
Showing the 20 most-cited of 225 papers — load more, or switch the sort, to bring in the rest.
| # | Work | ||
|---|---|---|---|
| 1 | Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations Hit paper breakdown → | 1990 | 6287 |
| 2 | Convergence acceleration of iterative sequences. the case of scf iteration Hit paper breakdown → | 1980 | 2114 |
| 3 | Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules Hit paper breakdown → | 1969 | 2091 |
| 4 | Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives Hit paper breakdown → | 1979 | 1983 |
| 5 | Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields Hit paper breakdown → | 1995 | 1778 |
| 6 | 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 Hit paper breakdown → | 1983 | 1437 |
| 7 | Can (semi)local density functional theory account for the London dispersion forces? Hit paper breakdown → | 1994 | 942 |
| 8 | The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces Hit paper breakdown → | 1992 | 893 |
| 9 | Localizability of dynamic electron correlation Hit paper breakdown → | 1983 | 745 |
| 10 | Local Treatment of Electron Correlation Hit paper breakdown → | 1993 | 622 |
| 11 | Geometry optimization by direct inversion in the iterative subspace Hit paper breakdown → | 1984 | 505 |
| 12 | Orbital-invariant formulation and second-order gradient evaluation in M�ller-Plesset perturbation theory Hit paper breakdown → | 1986 | 492 |
| 13 | Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical Force Fields Hit paper breakdown → | 1998 | 491 |
| 14 | 2006 | 439 | |
| 15 | Fourth-order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method Hit paper breakdown → | 1987 | 423 |
| 16 | 1981 | 412 | |
| 17 | Local configuration interaction: An efficient approach for larger molecules Hit paper breakdown → | 1985 | 407 |
| 18 | 2013 | 310 | |
| 19 | 1992 | 296 | |
| 20 | 1993 | 270 |
About Péter Pulay
Péter Pulay is a scholar working on Atomic and Molecular Physics, and Optics, Spectroscopy, Physical and Theoretical Chemistry, Organic Chemistry and Electronic, Optical and Magnetic Materials, having authored 225 papers that have together received 34.2k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (148 papers), Spectroscopy and Quantum Chemical Studies (86 papers), Molecular spectroscopy and chirality (34 papers), Advanced NMR Techniques and Applications (26 papers), Molecular Spectroscopy and Structure (26 papers), Photochemistry and Electron Transfer Studies (16 papers), Crystallography and molecular interactions (15 papers) and Molecular Junctions and Nanostructures (15 papers). The work is most often cited by research in Physical and Theoretical Chemistry (6.9k citations), Spectroscopy (10.5k citations), Atomic and Molecular Physics, and Optics (17.3k citations), Organic Chemistry (10.7k citations) and Electronic, Optical and Magnetic Materials (6.2k citations). Péter Pulay has collaborated with scholars based in United States, Hungary and Germany. Frequent co-authors include Krzysztof Woliński, James F. Hinton, Géza Fogarasi, James E. Boggs, Guntram Rauhut, Svein Sæbø, Jon Baker, Frank Pang, Sándor Kristyán and Tomasz Janowski. Their work appears in journals such as The Journal of Chemical Physics, Journal of Computational Chemistry, Chemical Physics Letters, Journal of the American Chemical Society and Molecular Physics.
Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.