Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

From MaRDI portal
Publication:5850442

DOI10.1103/PhysRev.97.1474zbMath0065.44907OpenAlexW2014209007WikidataQ27438298 ScholiaQ27438298MaRDI QIDQ5850442

Per-Olov Löwdin

Publication date: 1955

Published in: Physical Review (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1103/physrev.97.1474



Related Items

Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem, Applications of cut polyhedra. II, Charge-conserving electron density averaging for a set of nuclear configurations, Effective Hamiltonian within the microscopic unitary nuclear model. I: Coherent-state restriction technique for microscopic Hamiltonian, Correlated and idempotent Dirac first-order density matrices with identical diagonal fermion density: a route to extract a one-body potential energy in TDDFT, Collective nuclear potential within the microscopic Sp(6,R) model, One particle equations for many particle quantum systems: The MCTHDF method, Solutions of the multiconfiguration time-dependent Hartree-Fock equations with Coulomb interactions, New algorithm for nonorthogonal ab initio valence bond calculations. II: Subgraph-driven method, On quantum molecular similarity measures (QMSM) and indices (QMSI), Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation, Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR), On the nature of the collective quantum mechanical description of molecular atoms and bonds, Microscopic collective nuclear models with horizontal mixture, Large-scale semidefinite programs in electronic structure calculation, On density function coordinate matrix, The ordinary and matrix continued fractions in the theoretical analysis of Hermitian and relaxation operators, Electron Pairs in the Quasichemical-Equilibrium and Bardeen-Cooper-Schrieffer Theories, Studies in Perturbation Theory. V. Some Aspects on the Exact Self-Consistent Field Theory, Reduction of the N-Particle Variational Problem, Complexity of quantum impurity problems, Symmetry-adapted formulation of the \(G\)-particle-hole hypervirial equation method, Electron Correlation, On probability flow descriptors in position and momentum spaces, A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms, Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems, Occupation probabilities as variables in electronic structure theory: Cooper pairing, OP-NSOFT-cs,t, and the homogeneous electron liquid, Bose-Einstein Condensation and Liquid Helium, Fermi-Dirac entropy as a measure of electron interactions, An effective solution to convex 1-body \(N\)-representability, The \texttt{FermiFab} toolbox for fermionic many-particle quantum systems, Geometric entanglement in the Laughlin wave function, Summation Convention and the Density Matrix in Quantum Theory, Equation of motion of the correlated first-order density matrix for the ground-state of the Hookean atom with two electrons, Combining the \(G\)-particle-hole hypervirial equation and the Hermitian operator method to study electronic excitations and de-excitations, Variational Approach to the Many-Body Problem, Necessary and sufficient conditions for realizability of point processes, Combined Use of the Methods of Superposition of Configurations and Correlation Factor on the Ground States of the Helium-Like Ions, Density matrices for itinerant and localized electrons with and without external fields, Statistical Theory of Many-Electron Systems. Discrete Bases of Representation, On the Representation of Symmetric and Antisymmetric Tensors, Expansion Theorems for the Total Wave Function and Extended Hartree-Fock Schemes, Some Recent Advances in Density Matrix Theory, Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry, Eigenvalues of Density Matrices, Density matrices for wave functions built up of two-electron orbitals, Relaxation and Activation Energies for an Interstitial Neutral Defect in an Alkali Halide Lattice, Application of Wave Functions Containing Interelectron Coordinates. I. The Ground-State Energy of Lithium, A variational approach to correlation in an electron gas, About the foundation of the Kubo generalized cumulants theory: a revisited and corrected approach, Derivation of “almost” orthogonal two-electron orbitals, Lower bounds for ground states of condensed matter systems, Ground State of Solid<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">He</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>, Approximating a wavefunction as an unconstrained sum of Slater determinants, Atomic Many-Body Problem. I. General Theory of Correlated Wave Functions, The Physical Nature of the Chemical Bond, Mathematical aspects of the LCAO MO first order density function. II: Relationships between density functions, Riemannian three dimensional molecular spaces, Quantum information descriptors in position and momentum spaces, Existence of a solution to Hartree-Fock equations with decreasing magnetic fields, Antisymmetric Functions and Slater Determinants, A general spectral method for the numerical simulation of one-dimensional interacting fermions, Interaction Energy between a Helium Atom and a Hydrogen Molecule, On the Calculations of Real Wave Functions In Natural Form for Two-Electron Systems, Geometric methods for nonlinear many-body quantum systems, Diagonal coefficient representation of density functions and quantum similarity measures, On the Hartree–Fock scheme for a pair of adjoint operators, Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations, Variational density matrix optimization using semidefinite programming, Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures, First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules, On the quantum mechanical transition density operators. I: Foundations, CORRELATION ENERGY AND ENTANGLEMENT GAP IN CONTINUOUS MODELS, INFORMATION ENERGY AS AN ELECTRON CORRELATION MEASURE IN ATOMIC AND MOLECULAR SYSTEMS, Monte Carlo configuration interaction, APPLICATIONS OF DENSITY MATRICES IN A TRAPPED BOSE GAS, Optics with Quantum Hall Skyrmions, Natural atomic probabilities in quantum information theory, A center-of-mass principle for the multiparticle Schrödinger equation, Extension of Hund's Rule, On the extremum problem of the energy functional on the set of Slater determinants, Variational determination of the two-particle reduced density matrix within the doubly occupied configuration interaction space: exploiting translational and reflection invariance, Computing electronic structures: a new multiconfiguration approach for excited states, Non-local spin entanglement in a fermionic chain, The multiconfiguration methods in quantum chemistry: Palais-Smale condition and existence of minimizers., Generalized density functional theories using the k-electron densities: Development of kinetic energy functionals, Analysis of self-consistent extended Hückel theory (SC-EHT): a new look at the old method, Optimization techniques in energy calculations involving the Hartree-Fock density matrix



Cites Work