Paul W. Ayers

Available identifiers

zbMath Open ayers.paul-wDBLP32/3048WikidataQ47392216 ScholiaQ47392216MaRDI QIDQ339296

List of research outcomes

Publication	Date of Publication	Type
Inductive proof of Borchardt's theorem	2024-03-05	Paper
\texttt{Procrustes}: a python library to find transformations that maximize the similarity between matrices	2023-03-31	Paper
On the impossibility of unambiguously selecting the best model for fitting data	2019-09-04	Paper
CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry	2016-11-10	Paper
Molecular alignment as a penalized permutation Procrustes problem	2013-04-08	Paper
A variational principle for the electron density using the exchange hole \& its implications for \(N\)-representability	2013-01-22	Paper
Newton trajectories for finding stationary points on molecular potential energy surfaces	2011-12-15	Paper
Finding minimum energy reaction paths on ab initio potential energy surfaces using the fast marching method	2011-11-08	Paper
Failure of the Weizsäcker kinetic energy functional for one-, two-, and three-electron distribution functions	2011-11-08	Paper
Assessment of the March-Santamaria kinetic energy pair-density functional	2011-11-08	Paper
Variational density matrix optimization using semidefinite programming	2011-08-09	Paper
EXCHANGE-CORRELATION FUNCTIONALS FROM THE IDENTICAL-PARTICLE ORNSTEIN-ZERNIKE EQUATION: BASIC FORMULATION AND NUMERICAL ALGORITHMS	2011-06-27	Paper
The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrix	2011-02-18	Paper
A confined noninteracting many electron system: accurate corrections to a statistical model	2010-06-02	Paper
Computing the chemical reaction path with a ray-based fast marching technique for solving the Hamilton-Jacobi equation in a general coordinate system	2009-09-02	Paper
A perspective on the link between the exchange(-correlation) hole and dispersion forces	2009-06-30	Paper
A physically motivated sparse cubature scheme with applications to molecular density-functional theory	2008-09-24	Paper
The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons	2008-05-21	Paper
Fast marching method for calculating reactive trajectories for chemical reactions	2007-05-24	Paper
Generalized density functional theories using the k-electron densities: Development of kinetic energy functionals	2007-05-16	Paper
On the distribution of eigenvalues of grand canonical density matrices	2003-08-06	Paper

Research outcomes over time

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