Most cited papers in Atomic and Molecular Physics

Atomic and Molecular Physics

What are the most cited papers in Atomic and Molecular Physics?

The most cited paper in Atomic and Molecular Physics is "Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density" (Chengteh Lee, Weitao Yang, Robert G. Parr, 1988), with 101,337 citations. Next come "Projector augmented-wave method" (93,392) and "The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors" (22,220).

Published TypeAccessCitations

Showing 50 of 100 papers. Every paper with more than 1,388 citations is listed.

Most cited papers, sortable by citations and release date
#	Paper
1	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter	15 Jan 1988	101,337
2	Projector augmented-wave method Peter E. Blöchl · Physical review. B, Condensed matter	15 Dec 1994	93,392
3	The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors Samuel Francis Boys, Fernando Bernardi · Molecular Physics	Oct 1970	22,220
4	C60: Buckminsterfullerene Harold Walter Kroto, J. R. Heath, Sean C. O’Brien et al. · Nature	Nov 1985	16,047
5	Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics	1985	13,837
6	Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 A. D. McLean, Graham S. Chandler · The Journal of Chemical Physics	15 May 1980	9,809
7	Fully optimized contracted Gaussian basis sets for atoms Li to Kr Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics	15 Aug 1992	9,689
8	Energy-adjustedab initio pseudopotentials for the second and third row transition elements Dirk Andrae, U. Häußermann, Michael Dolg et al. · Theoretica Chimica Acta	Mar 1990	8,623
9	Double-slit photoelectron interference in strong-field ionization of the neon dimer M. Kunitski, Nicolas Eicke, P. Huber et al. · Institutional Repository of Leibniz Universität Hannover (Leibniz Universität Hannover) Open access	2019	8,265
10	Double-slit photoelectron interference in strong-field ionization of the neon dimer Maksim Kunitski, Nicolas Eicke, Pia Huber et al. · Nature Communications Open access	27 Dec 2018	8,258
11	Optical Absorption Intensities of Rare-Earth Ions B. R. Judd · Physical Review	Aug 1962	8,097
12	Intensities of Crystal Spectra of Rare-Earth Ions G. S. Ofelt · The Journal of Chemical Physics	Aug 1962	7,517
13	Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr B. Miehlich, Andreas Savin, Hermann Stoll et al. · Chemical Physics Letters	May 1989	7,326
14	Plasma perspective on strong field multiphoton ionization P. B. Corkum · Physical Review Letters Open access	27 Sep 1993	7,217
15	New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem Lars Hedin · Physical Review Open access	2 Aug 1965	5,547
16	The Ame2003 atomic mass evaluation G. Audi, A.H. Wapstra, Catherine Thibault · Nuclear Physics A	Dec 2003	4,793
17	Relativistic regular two-component Hamiltonians Erik van Lenthe, Evert Jan Baerends, J. G. Snijders · The Journal of Chemical Physics	15 Sep 1993	4,423
18	Angular Momentum in Quantum Mechanics A. R. Edmonds, H. Mendlowitz · Physics Today	Apr 1958	4,319
19	A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Björn Olof Roos, Peter R. Taylor, Per E.M. Sigbahn · Chemical Physics	May 1980	4,040
20	Cosmochemistry of the Rare Earth Elements: Meteorite Studies William V. Boynton · Developments in geochemistry Book chapter	1984	3,817
21	Time-of-Flight Mass Spectrometer with Improved Resolution W. C. Wiley, I. H. McLaren · Review of Scientific Instruments	Dec 1955	3,675
22	Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements Michael Dolg, Ulrich Wedig, Hermann Stoll et al. · The Journal of Chemical Physics	15 Jan 1987	3,548
23	Relativistic total energy using regular approximations Erik van Lenthe, Evert Jan Baerends, J. G. Snijders · The Journal of Chemical Physics	Dec 1994	3,363
24	Quantum electrodynamics Matthew D. Schwartz · Cambridge University Press eBooks Book chapter	15 Dec 2013	3,275
25	A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements George A. Petersson, Andrew F. Bennett, Thomas G. Tensfeldt et al. · The Journal of Chemical Physics	15 Aug 1988	3,146
26	A complete basis set model chemistry. II. Open-shell systems and the total energies of the first-row atoms George A. Petersson, Mohammad A. Al‐Laham · The Journal of Chemical Physics	May 1991	3,121
27	Plasma Losses by Fast Electrons in Thin Films R. H. Ritchie · Physical Review	Jun 1957	3,106
28	Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon David E. Woon, Thom H. Dunning · The Journal of Chemical Physics	15 Sep 1995	2,953
29	Quantum electrodynamical corrections to the fine structure of helium Marvin Douglas, Norman M. Kroll · Annals of Physics	1974	2,945
30	Ab initio energy-adjusted pseudopotentials for elements of groups 13–17 Andreas Bergner, Michael Dolg, Wolfgang Küchle et al. · Molecular Physics	20 Dec 1993	2,887
31	Precision Measurement of Half-Lives and Specific Activities of U 235 and U 238 Arthur H. Jaffey, Kian Flynn, L.E. Glendenin et al. · Physical Review C	Nov 1971	2,874
32	A unified theory of nuclear reactions. II Herman Feshbach · Annals of Physics	Aug 1962	2,861
33	RI-MP2: optimized auxiliary basis sets and demonstration of efficiency Florian Weigend, Marco Häser, Holger Patzelt et al. · Chemical Physics Letters	Sep 1998	2,821
34	A multicenter numerical integration scheme for polyatomic molecules Axel D. Becke · The Journal of Chemical Physics	15 Feb 1988	2,775
35	Range and stopping-power tables for heavy ions L. C. Northcliffe, Roland Schilling · Atomic Data and Nuclear Data Tables	1970	2,741
36	X-ray circular dichroism as a probe of orbital magnetization Bernard Theodoor Thole, Paolo Carra, F. Sette et al. · Physical Review Letters	23 Mar 1992	2,720
37	A Relativistic Equation for Bound-State Problems E. E. Salpeter, Hans Albrecht Bethe · Physical Review	15 Dec 1951	2,684
38	Efficient molecular numerical integration schemes Oliver Treutler, Reinhart Ahlrichs · The Journal of Chemical Physics	1995	2,565
39	CLOUDY 90: Numerical Simulation of Plasmas and Their Spectra G. J. Ferland, Kirk T. Korista, D. A. Verner et al. · Publications of the Astronomical Society of the Pacific	Jul 1998	2,535
40	Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators Bernd Artur Heß · Physical Review A	Jun 1986	2,518
41	Atomic Screening Constants from SCF Functions Enrico Clementi, D. L. Raimondi · The Journal of Chemical Physics	Jun 1963	2,451
42	SRIM – The stopping and range of ions in matter (2010) James F. Ziegler, M.D. Ziegler, J.P. Biersack · Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms	27 Feb 2010	2,448
43	Electronic Shell Structure and Abundances of Sodium Clusters Walter D. Knight, Keith Clemenger, Walt A. de Heer et al. · Physical Review Letters	11 Jun 1984	2,407
44	X-ray circular dichroism and local magnetic fields Paolo Carra, Bernard Theodoor Thole, M. Altarelli et al. · Physical Review Letters	Feb 1993	2,370
45	A compilation of charged-particle induced thermonuclear reaction rates Camila Betzabet Sepúlveda Angulo et al. · Nuclear Physics A Open access	Aug 1999	2,284
46	Nucleon-Nucleus Optical-Model Parameters, A > 40 , E < 50 MeV F. D. Becchetti, G. W. Greenlees · Physical Review	20 Jun 1969	2,255
47	On the general theory of collisions for particles with spin M. Jacob, G. C. Wick · Annals of Physics	Aug 1959	2,232
48	Basis-set convergence in correlated calculations on Ne, N2, and H2O Asger Halkier, Trygve Ulf Helgaker, Poul Jørgensen et al. · Chemical Physics Letters	Apr 1998	2,220
49	CHIANTI - an atomic database for emission lines K. P. Dere, Enrico Landi, Helen E. Mason et al. · Astronomy & Astrophysics Supplement Series Open access	Oct 1997	2,156
50	Optical properties of the metals Al, Co, Cu, Au, Fe, Pb, Ni, Pd, Pt, Ag, Ti, and W in the infrared and far infrared Mark A. Ordal, Larry L. Long, R. J. Bell et al. · Applied Optics	Apr 1983	2,142

Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.