The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods
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Electronic Energy Bands in Sodium ChlorideWave and Reaction Operators in the Quantum Theory of Many-Particle SystemsElectronic excitations: density-functional versus many-body Green’s-function approachesAnalytic Atomic Wave FunctionsHow Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and LeipzigA review of computational methods in materials science: examples from shock-wave and polymer physics.Quantum mechanical force field for hydrogen fluoride with explicit electronic polarizationOn the importance of excited state dynamic response electron correlation in polarizable embedding methods.Theoretical prediction of drug-receptor interactions.Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patterns.Potential-Energy Surfaces, the Born-Oppenheimer Approximations, and the Franck-Condon Principle: Back to the Roots.Variational grand-canonical electronic structure method for open systems.Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H2.Compactness aromaticity of atoms in molecules.Theoretical insight into the interaction between SnX2 (X = H, F, Cl, Br, I) and benzene.Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework.Energy and density analyses of the H2 molecule from the united atom to dissociation: the 1Sigma(g)+ states.Intramolecular halogen-halogen bonds?Artemisinin-polypyrrole conjugates: synthesis, DNA binding studies and preliminary antiproliferative evaluation.Can density functional theory describe the NO(X2Π)-Ar and NO(A2Σ+)-Ar van der Waals complexes?A unified ab initio approach to the correlated quantum dynamics of ultracold fermionic and bosonic mixtures.Perspective on density functional theory.Density functional theory for comprehensive orbital energy calculations.Addition and removal energies of circular quantum dots.Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting.Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal.Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo.Approximate variational coupled cluster theory.Simulation of NMR chemical shifts in heterocycles: a method evaluation.Self-interaction corrections in density functional theory.Theoretical study of the effects of substituents (F, Cl, Br, CH3, and CN) on the aromaticity of borazine.Molecular attochemistry in non-polar liquid environments: ultrafast charge migration dynamics through gold-thiolate and gold-selenolate linkages.Self-consistent second-order Green's function perturbation theory for periodic systems.Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.Van der Waals interactions: evaluations by use of a statistical mechanical method.Strong field ionization rate for arbitrary laser frequencies.Dirac's equation in semiclassical physics.A general perspective of the quantum mechanical foundations of energy transduction.Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory.Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems.
P2860
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P2860
The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods
description
1928 nî lūn-bûn
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1928年の論文
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1928年学术文章
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1928年学术文章
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1928年学术文章
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name
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@en
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@nl
type
label
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@en
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@nl
prefLabel
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@en
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@nl
P1476
The Wave Mechanics of an Atom ...... ld. Part I. Theory and Methods
@en
P2093
D. R. Hartree
P356
10.1017/S0305004100011919
P577
1928-01-01T00:00:00Z