Robert Erdahl

Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms

Magnetic Spin Susceptibility of AsF5-Intercalated Graphite: Determination of the Density of States at the Fermi Energy

Detecting multipartite entanglement

Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method

Semidefinite Programming

A study of the collisional quenching of O(2¹D₂) by the noble gases employing time‐resolved attenuation of atomic resonance radiation in the vacuum ultraviolet

Challenges for Density Functional Theory

Two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation: Enhanced energies and properties with larger basis sets

Collisional excitation of CO2 by N2, O2, and Ar

Metal-Insulator Transition and Antiferromagnetism in a One-Dimensional Organic Solid

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

Localized Orbitals for Molecular Quantum Theory. I. The Hückel Theory

Quantum theory of molecular electronic structure

Bound excited states in density-functional theory

Rate constants for the gaseous interaction of O(21D2) and O(21S0 - a critical evaluation

Excited state spectroscopy, subpicosecond predissociation, and solvation of diatomic XeO in solid rare gas hosts

Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces

Development of a supersonic O(3PJ), O(1D2) atomic oxygen nozzle beam source

Self-interaction correction to density-functional approximations for many-electron systems

Large-Scale Optimization of Eigenvalues

Fast linear iterations for distributed averaging

Repulsive potentials for the interaction of oxygen atoms with the noble gases and atmospheric molecules

Randomized gossip algorithms

Role of Frontier Orbitals in Chemical Reactions

Quantum entanglement

Entanglement detection

A one-to-one mapping between one-particle densities and some n-particle ensembles

Representability

The Fluorides and Oxides of Helium and Neon¹

Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles

Spectral properties of cones of approximately representable reduced density matrices

Reduced density matrices with applications to physical and chemical systems : proceedings of a conference held at Queen's University, Kingston, August 28-September 1, 1967, sponsored jointly by the U.S. Air Force Office of Scientific Research, the U.S. Office of Naval Research and the National Research Council of Canada

Two algorithms for the lower bound method of reduced density matrix theory