128 citations · 1.2k across the 43 of their papers we have counts for
3 papers · 1 filter
Thermodynamics from first principles: correlations and nonextensivity
S. N. Saadatmand, Tim Gould, E. G. Cavalcanti +1
The standard formulation of thermostatistics, being based on the Boltzmann-Gibbs distribution and logarithmic Shannon entropy, describes idealized uncorrelated systems with extensi…
A simple self-interaction correction to RPA-like correlation energies
Tim Gould, Adrienn Ruzsinszky, John P. Perdew
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. T…
Bridging molecular dynamics and correlated wave-function methods for accurate finite-temperature properties
Dario Rocca, Anant Dixit, Michael Badawi +3
We introduce the "selPT" perturbative approach, based on ab initio molecular dynamics (AIMD), for computing accurate finite-temperature properties by efficiently using correlated w…