Showing results (1-10 of 183) with videos related to

Sort By:
Pageof 19
The Journal of Chemical Physics|December 10, 2015
Robust validation of approximate 1-matrix functionals with few-electron harmonium atomsJerzy Cioslowski, Mario Piris, Eduard Matito
Journal of Chemical Theory and Computation|November 26, 2015
Benchmark Full Configuration Interaction Calculations on the Lowest-Energy (2)P and (4)P States of the Three-Electron Harmonium AtomJerzy Cioslowski, Eduard Matito
The Journal of Chemical Physics|March 25, 2011
Note: The weak-correlation limit of the three-electron harmonium atomJerzy Cioslowski, Eduard Matito
The Journal of Chemical Physics|August 3, 2014
Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atomJerzy Cioslowski, Krzysztof Strasburger, Eduard Matito
The Journal of Physical Chemistry. A|June 23, 2007
Properties of aromaticity indices based on the one-electron density matrixJerzy Cioslowski, Eduard Matito, Miquel Solà
The Journal of Chemical Physics|May 23, 2012
The three-electron harmonium atom: the lowest-energy doublet and quadruplet statesJerzy Cioslowski, Krzysztof Strasburger, Eduard Matito
Physical Chemistry Chemical Physics : PCCP|April 29, 2010
Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron speciesEduard Matito, Jerzy Cioslowski, Sergei F Vyboishchikov
The Journal of Chemical Physics|November 2, 2015
H4: A challenging system for natural orbital functional approximationsEloy Ramos-Cordoba, Xabier Lopez, Mario Piris, et al.
The Journal of Chemical Physics|December 22, 2014
Two new constraints for the cumulant matrixEloy Ramos-Cordoba, Pedro Salvador, Mario Piris, et al.
Physical Chemistry Chemical Physics : PCCP|August 24, 2017
Comprehensive benchmarking of density matrix functional approximationsMauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Mireia Via-Nadal, et al.
Pageof 19