Pages that link to "Item:Q3268238"

The following pages link to Some Recent Advances in Density Matrix Theory (Q3268238):

Displaying 37 items.

• Inexact restoration method for minimization problems arising in electronic structure calculations (Q409270) (← links)
• The education of Walter Kohn and the creation of density functional theory (Q484144) (← links)
• Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251) (← links)
• Charge-conserving electron density averaging for a set of nuclear configurations (Q843279) (← links)
• Fast spectral projection algorithms for density-matrix computations (Q1306101) (← links)
• The \(N\)-representability problem, the pseudo-spectral decomposition of antisymmetric 1-body operators, and collective behaviour (Q1373518) (← links)
• The convex structure of the cone of \(N\)-fermion positive-semidefinite 1-particle operators (Q1580728) (← links)
• Density matrices in \(O(N)\) electronic structure calculations: theory and applications (Q1613827) (← links)
• Hyperuniform states of matter (Q1653681) (← links)
• Total-energy calculations on a real space grid with localized functions and a plane-wave basis. (Q1862425) (← links)
• Localized density matrix minimization and linear-scaling algorithms (Q2375178) (← links)
• Simple one-electron invariants of molecular chirality (Q2385365) (← links)
• Relation between the range of an elementary 3-particle 2-body operator and the convex structure of the set of fermion 3-representable 2-density operators (Q2390692) (← links)
• On the computation of large-scale self-consistent-field iterations (Q2399216) (← links)
• A fixed-point method for approximate projection onto the positive semidefinite cone (Q2400246) (← links)
• Quantum coherence dynamics of spin pairs in many-spin cluster (Q2429297) (← links)
• Searching for new conditions for fermion \(N\)-representability (Q2455753) (← links)
• Higher order, generalized, Schmidt decompositions for indistinguishable, overlapping particles (Q2476302) (← links)
• Electron correlation studies by means of local-scaling transformations and electron-pair density functions (Q2485883) (← links)
• Implicit purification for temperature-dependent density matrices (Q2901553) (← links)
• Eigenvalues of Density Matrices (Q3270587) (← links)
• Alternant Orbitals in Crystals (Q3282756) (← links)
• Analytical Methods in Hartree-Fock Self-Consistent Field Theory (Q3282780) (← links)
• Derivation of orthogonal many-electron group orbitals and the effect of small external perturbation on a system consisting of loosely coupled electron groups (Q3289828) (← links)
• Configuration interaction for wave functions built up from orthogonal two-electron orbitals (Q3291383) (← links)
• The Physical Nature of the Chemical Bond (Q3294185) (← links)
• Stability of Hartree-Fock States (Q3848889) (← links)
• Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators (Q4627445) (← links)
• Geometric measure of indistinguishability for groups of identical particles (Q4903126) (← links)
• Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)
• Point processes in arbitrary dimension from fermionic gases, random matrix theory, and number theory (Q5239452) (← links)
• Reduction of the <i>N</i>-Particle Variational Problem (Q5339058) (← links)
• On the Calculations of Real Wave Functions In Natural Form for Two-Electron Systems (Q5737012) (← links)
• Sharp Estimation of Convergence Rate for Self-Consistent Field Iteration to Solve Eigenvector-Dependent Nonlinear Eigenvalue Problems (Q5862811) (← links)
• Order-\(N\) methodologies and their applications (Q5949816) (← links)
• A Mathematical and Computational Proposal for the Development of Tight-Binding Order-N Density Matrix Methodology (Q6084576) (← links)
• Massively parallel sparse matrix function calculations with NTPoly (Q6155393) (← links)