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#TitleJournalYearCitations
1Direct calculation of ionization energiesMolecular Physics1973512
2Self-consistent reaction field theory of solvent effectsMolecular Physics1975505
3Geometric Phases for Mixed States in InterferometryPhysical Review Letters2000489
4Controlling Cold Atoms using Nanofabricated Surfaces: Atom ChipsPhysical Review Letters2000332
5Kinematic Approach to the Mixed State Geometric Phase in Nonunitary EvolutionPhysical Review Letters2004273
6DFT study of bare and dye-sensitized TiO2 clusters and nanocrystalsInternational Journal of Quantum Chemistry2006230
7Electron affinities and ionization potentials of nucleotide basesChemical Physics Letters2000226
8Nonadiabatic Holonomic Quantum Computation in Decoherence-Free SubspacesPhysical Review Letters2012220
9Moment-conserving decoupling of green functions via pade approximantsChemical Physics Letters1970213
10Theoretical study of lithium intercalation in rutile and anatasePhysical Review B1996208
11Calculated Structural and Electronic Interactions of the Ruthenium Dye N3 with a Titanium Dioxide NanocrystalJournal of Physical Chemistry B2005181
12Molecular Orbital Interpretation of X‐Ray Emission Spectra: Simple Hydrocarbons and Carbon OxidesJournal of Chemical Physics1970177
13Phosphonic acid adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computationsSurface Science2005163
14Asymptotic Double-Photoexcitation Cross Sections of the Helium AtomPhysical Review A1970158
15The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic EffectsJournal of the American Chemical Society2011157
16Anchor group influence on molecule–metal oxide interfaces: Periodic hybrid DFT study of pyridine bound to TiO2 via carboxylic and phosphonic acidChemical Physics Letters2005137
17Topological analysis of chaotic time series data from the Belousov-Zhabotinskii reactionJournal of Nonlinear Science1991123
18Multimode Interferometer for Guided Matter WavesPhysical Review Letters2002122
19Direct calculation of ionization energies. Transition operator for the ΔESCF methodChemical Physics Letters1973119
20Spacer and Anchor Effects on the Electronic Coupling in Ruthenium-bis-Terpyridine Dye-Sensitized TiO2Nanocrystals Studied by DFTJournal of Physical Chemistry B2006115
21SCF and limited CI calculations for assignment of the Auger spectrum and of the satellites in the soft X-ray spectrum of H2OChemical Physics Letters1975113
22Efficient optimization of large scale MCSCF wave functions with a restricted step algorithmJournal of Chemical Physics1987112
23Calculations of the ground and excited states ofF-type centers in corundum crystalsPhysical Review B1994112
24Robustness of nonadiabatic holonomic gatesPhysical Review A2012106
25Doppler-free kinetic energy release spectrum ofJournal of Physics B: Atomic, Molecular and Optical Physics1996100
26Towards a quantum Hall effect for atoms using electric fieldsPhysical Review A200199
27The OH vibrational spectrum of liquid water from combined ab initio and Monte Carlo calculationsJournal of Chemical Physics199189
28Instability of stable negative ions in the Xα method or other local density functional schemesChemical Physics Letters197886
29Generalization of the geometric phase to completely positive mapsPhysical Review A200385
30Fast non-Abelian geometric gates via transitionless quantum drivingScientific Reports201685
31Recent Developments in Configuration Interaction and Density Functional Theory Calculations of Radical Hyperfine Structure.Advances in Quantum Chemistry199683
32Absorption and electrochemical properties of ruthenium(II) dyes, studied by semiempirical quantum chemical calculationsJournal of Photochemistry and Photobiology A: Chemistry199882
33Comparison of Experimental and Calculated Hyperfine Coupling Constants. Which Radicals Are Formed in Irradiated Guanine?Journal of Physical Chemistry B199882
34Systematic Theoretical Investigation on the Light Emitter of FireflyJournal of Chemical Theory and Computation201181
35A theoretical study of x‐ray photoelectron spectra of model molecules for polymethylmethacrylateJournal of Chemical Physics199180
36Reaction mechanism of thymine dimer formation in DNA induced by UV lightJournal of Photochemistry and Photobiology A: Chemistry200280
37First principles electrochemistry: Electrons and protons reacting as independent ionsJournal of Chemical Physics200279
38Muon catalysed fusion Chemical confinement of nuclei within the muonic molecule dtμAdvances in Physics199275
39Stability of hydrogen-antihydrogen mixtures at low energiesPhysical Review A200175
40Pulse bifurcation and transition to spatiotemporal chaos in an excitable reaction-diffusion modelPhysica D: Nonlinear Phenomena199774
41THE INFLUENCE OF MOVEMENT AND RESTING BEHAVIOR ON THE RANGE OF THREE CARABID BEETLESEcology199873
42Calculations of the geometry and optical properties ofFMgcenters and dimer (F2-type) centers in corundum crystalsPhysical Review B199570
43Charge transfer satellites. Intensity dependence on localization of hole stateChemical Physics Letters197769
44Theoretical Investigation of Adenine Radicals Generated in Irradiated DNA ComponentsJournal of Physical Chemistry B199869
45Hydrogen-Antihydrogen CollisionsPhysical Review Letters200069
46Interaction of ultracold antihydrogen with a conducting wallPhysical Review A200569
47Satellites in ESCA inner-shell spectra of 3d0 transition metal complexesJournal of Electron Spectroscopy and Related Phenomena197668
48The Smallest Possible Nanocrystals of Semiionic OxidesJournal of Physical Chemistry B200368
49Improved Molecular Final-State Distribution ofHeT+for theβ-Decay Process ofT2Physical Review Letters200064
50Observation of predissociation and tunnelling processes in : a study using Doppler free kinetic energy release spectroscopy andab initioCI calculationsJournal of Physics B: Atomic, Molecular and Optical Physics199663