scientific article; zbMATH DE number 3130133

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(71)

Theory and method for accelerating the convergence of self-consistent electronic structure calculations
Eigenvalue correction estimates for the one-dimensional Schrödinger equation
Numerical integration of an inhomogeneous boundary value problem
Algorithms for the solution of systems of coupled second-order ordinary differential equations
An improved shooting method for one-dimensional Schrödinger equation
On Johnson's log-derivative algorithm for a single equation
Accurate numerical solution of the Schrödinger and Dirac wave equations for central fields
A finite difference Newton-Raphson solution of the atomic Hartree-Fock problem
Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach
On the Dirac-Frenkel variational principle on tensor Banach spaces
On the question of the existence of one-dimensional multielectron atoms
A numerical method for the Hartree equation of the helium atom
Solutions of Hartree-Fock equations for Coulomb systems
A B-spline Hartree-Fock program
Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index
Geometry of nonadiabatic quantum hydrodynamics
Asymptotics of the Hartree operator spectrum near the upper boundaries of spectral clusters: asymptotic solutions localized near a circle
Numerical methods for the eigenvalue determination of second-order ordinary differential equations
\texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations
Superconductivity of plasma and fireballs
The numerical solution of coupled differential equations arising from the Schrödinger equation
Iteration methods for calculating self-consistent fields in semiconductor inversion layers
Iterative solution of the Hartree-Fock equations with improved stability
A numerical approach for the solution of the radial Schrödinger equation with atomic-like potentials
Electron gas in the screening-corrected Hartree-Fock model
Semiclassical asymptotic approximation of the two-dimensional Hartree operator spectrum near the upper boundaries of spectral clusters
Accurate computation of screened Coulomb potential integrals in numerical Hartree-Fock programs
Excited-State Wave Functions, Excitation Energies, and Oscillator Strengths for Argon (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msup></mml:mrow><mml:mn>4</mml:mn><mml:mi>s</mml:mi></mml:math>)
Initial Estimates for Self-Consistent Field Calculations for Atoms with Large Atomic Number
Application of Perturbation Methods to the Theory of Nuclear Matter
Self-Consistent Field Theory for Open Shells of Electronic Systems
Correlated Orbitals for the Ground State of Heliumlike Systems
Approximate Methods in the Quantum Theory of Many-Fermion Systems
Analytic Hartree-Fock Wave Functions for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>p</mml:mi></mml:math>-Shell Atoms
Relaxation and Activation Energies for an Interstitial Neutral Defect in an Alkali Halide Lattice
Perturbation Treatment of Hartree-Fock Equations
Application of Wave Functions Containing Interelectron Coordinates. II. Approximate Energy Levels of Atoms
Die Güte von Näherungslösungen der Schrödingergleichung und die Genauigkeit der Erwartungswerte und Übergangselemente
Atomic Many-Body Problem. I. General Theory of Correlated Wave Functions
An Introduction to Special Functions with Some Applications to Quantum Mechanics
Hartree-Fock Wave Functions for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>p</mml:mi></mml:math>-Shell Atoms
On the convergence of SCF algorithms for the Hartree-Fock equations
Fast and accurate 3D tensor calculation of the Fock operator in a general basis
scientific article; zbMATH DE number 872677 (Why is no real title available?)
О статистическом генераторе решений уравнения Шредингера
About one numerical method of finding positions of hydrogen and oxygen nuclei in water cluster
About one method of numerical solution Schrödinger equation
Unphysical and physical solutions in many-body theories: from weak to strong correlation
Numerical method for reconstructing the average positions of quantum particles in a molecular system
Correlation Effects in Atoms
Parametrized Slater Modified Hartree-Fock Method Applied to Actinide Ions
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Z</mml:mi></mml:math>Expansion of Hartree-Fock Wave Functions
Numerical solution of singular ODE eigenvalue problems in electronic structure computations
Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
Theory of Direct Exchange in Ferromagnetism
A Method of Calculation of Integrals of Products of Radial Atomic Wave Functions
A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions
Charlotte Froese Fischer -- some personal reflections
Pushing the limits of the periodic table -- a review on atomic relativistic electronic structure theory and calculations for the superheavy elements
Multiconfiguration electron density function for the \texttt{ATSP}2K-package
Stochastic quantization of laser propagation models
One line of development of the Galerkin projection method in problems of stationary solid mechanics (review)
Accurate numerical method for the solutions of the Schrödinger equation and the radial integrals based on the CIP method
New numerical method for the solutions of the MCDF equations based on the CIP method
Quantum chemistry in Great Britain: developing a mathematical framework for quantum chemistry
Grid-based electronic structure calculations: the tensor decomposition approach
Uniqueness of principal solutions for defocusing Hartree equations via inverse optimal problems
Gravitational waves in warped compactifications
Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
A four-step method for the numerical solution of the Schrödinger equation

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