Rogelio Cuevas-Saavedra

发表

Response to "Comment on 'Kohn-Sham exchange-correlation potentials from second-order reduced density matrices'" [J. Chem. Phys. 145, 037101 (2016)].

P. Ayers, V. Staroverov, I. G. Ryabinkin, 2016, The Journal of chemical physics.

Computing the Unconstrained Local Hardness

P. Ayers, Rogelio Cuevas-Saavedra, N. Rabi, 2018, Conceptual Density Functional Theory and Its Application in the Chemical Domain.

Weighted Density Approximations for Kohn-Sham Density Functional Theory

Rogelio Cuevas-Saavedra, 2012 .

Using the spin-resolved electronic direct correlation function to estimate the correlation energy of the spin-polarized uniform electron gas

P. Ayers, Rogelio Cuevas-Saavedra, 2012 .

A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation

Matthew Chan, Paul W. Ayers, Rogelio Cuevas-Saavedra, 2017, Comput..

Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas.

Rogelio Cuevas-Saavedra, Debajit Chakraborty, Sandra Rabi, 2012, Journal of chemical theory and computation.

Alternative Ornstein–Zernike models from the homogeneous electron liquid for density functional theory calculations

David C. Thompson, P. Ayers, Rogelio Cuevas-Saavedra, 2016 .

EXCHANGE-CORRELATION FUNCTIONALS FROM THE IDENTICAL-PARTICLE ORNSTEIN-ZERNIKE EQUATION: BASIC FORMULATION AND NUMERICAL ALGORITHMS

P. Ayers, Rogelio Cuevas-Saavedra, 2010 .

Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals.

V. Staroverov, Sviataslau V. Kohut, Rogelio Cuevas-Saavedra, 2016, The Journal of chemical physics.

Exact expressions for the Kohn–Sham exchange-correlation potential in terms of wave-function-based quantities

V. Staroverov, Rogelio Cuevas-Saavedra, 2016 .

Kohn-Sham exchange-correlation potentials from second-order reduced density matrices.

P. Ayers, V. Staroverov, Rogelio Cuevas-Saavedra, 2015, The Journal of chemical physics.

Symmetric two-point weighted density approximation for exchange energies

P. Ayers, D. Chakraborty, Rogelio Cuevas-Saavedra, 2012 .

Coordinate scaling of the kinetic energy in pair density functional theory: A Legendre transform approach

P. Ayers, Rogelio Cuevas-Saavedra, 2009 .

A variational principle for the electron density using the exchange hole & its implications for N-representability

P. Ayers, D. Chakraborty, Rogelio Cuevas-Saavedra, 2012 .

A Gradient Corrected Two-Point Weighted Density Approximation for Exchange Energies

P. Ayers, Matthew Chan, D. Chakraborty, 2018 .

Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets

P. Ayers, Rogelio Cuevas-Saavedra, 2012 .

Two-point weighted density approximations for the kinetic energy density functional

P. Ayers, D. Chakraborty, Rogelio Cuevas-Saavedra, 2017, Theoretical Chemistry Accounts.

Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas.

P. Ayers, C. Cárdenas, Rogelio Cuevas-Saavedra, 2012, Journal of chemical theory and computation.