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Systems of Self-Gravitating Particles in General Relativity and the Concept of an Equation of StateOptimized Lieb-Oxford bound for the exchange-correlation energyOn the Problem of the Molecular Theory of SuperconductivityExchange holes in inhomogeneous systems: A coordinate-space modelA method for computational combinatorial peptide design of inhibitors of Ras protein.Nonvariational time-dependent multiconfiguration self-consistent field equations for electronic dynamics in laser-driven molecules.Ab initio curved-wave x-ray-absorption fine structure.Appearance intensities for multiply charged ions in a strong laser field.Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory.Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules.Computational protocols for prediction of solute NMR relative chemical shifts. a case study of L-tryptophan in aqueous solution.Coherent control and time-dependent density functional theory: towards creation of wave packets by ultrashort laser pulses.Multicomponent dynamics of coupled quantum subspaces and field-induced molecular ionizations.Time-dependent restricted-active-space self-consistent-field singles method for many-electron dynamics.The time-resolved photoelectron spectrum of toluene using a perturbation theory approach.Photoselected electron transfer pathways in DNA photolyase.A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz.Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method.Exchange functionals based on finite uniform electron gases.Feynman's clock, a new variational principle, and parallel-in-time quantum dynamics.Density functional theory simulations of complex hydride and carbon-based hydrogen storage materials.Electronic Properties of Cyclacenes from TAO-DFT.Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies.QM/MM calculations with deMon2k.Hardness potential derivatives and their relation to Fukui indices.Reference electronic structure calculations in one dimension.Photoinduced work function changes by isomerization of a densely packed azobenzene-based SAM on Au: a joint experimental and theoretical study.Size-controlled and optical properties of monodispersed silver nanoparticles synthesized by the radiolytic reduction methodScaling for quantum tunneling current in nano- and subnano-scale plasmonic junctions.Correlation-induced superconductivity dynamically stabilized and enhanced by laser irradiation.Influence of dose on particle size and optical properties of colloidal platinum nanoparticles.The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree-Fock and density functional theory results obtained with the periodic coupled perturbed Hartree-Fock/Kohn-Sham scheme.Reaction mechanism and structure-reactivity relationships in the stereospecific 1,4-polymerization of butadiene catalyzed by neutral dimeric allylnickel(II) halides [Ni(C3H5)X]2 (X- = Cl-, Br-, I-): a comprehensive density functional theory study.Predictions of x-ray scattering spectra for warm dense matter.Double excitations from modified Hartree Fock subsequent minimization scheme.Perturbative wave-packet spawning procedure for non-adiabatic dynamics in diabatic representation.Ramp compression of diamond to five terapascals.Equation of state for a partially ionized gas. II.Double asymptotic expansion of three-center electronic repulsion integrals.A novel interpretation of reduced density matrix and cumulant for electronic structure theories.
P2860
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P2860
description
im Juli 1930 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в липні 1930
@uk
name
Note on Exchange Phenomena in the Thomas Atom
@en
Note on Exchange Phenomena in the Thomas Atom
@nl
type
label
Note on Exchange Phenomena in the Thomas Atom
@en
Note on Exchange Phenomena in the Thomas Atom
@nl
prefLabel
Note on Exchange Phenomena in the Thomas Atom
@en
Note on Exchange Phenomena in the Thomas Atom
@nl
P1476
Note on Exchange Phenomena in the Thomas Atom
@en
P356
10.1017/S0305004100016108
P50
P577
1930-07-01T00:00:00Z