[1]

DoNOF: An opensource implementation of naturalorbitalfunctionalbased methods for quantum chemistry
Computer Physics Communications,
2021
DOI:10.1016/j.cpc.2020.107651



[2]

Variational determination of the twoelectron reduced density matrix within the doubly occupied configuration interaction scheme: An extension to the study of openshell systems
The Journal of Chemical Physics,
2020
DOI:10.1063/5.0020581



[3]

Natural orbital functional for spinpolarized periodic systems
Journal of Physics: Condensed Matter,
2019
DOI:10.1088/1361648X/ab0170



[4]

New approach to obtain the analytical expression of the energy functional in free or confined atoms
Results in Physics,
2019
DOI:10.1016/j.rinp.2019.102261



[5]

Advances in Quantum Chemistry,
2019
DOI:10.1016/bs.aiq.2019.04.001



[6]

Manybody Approaches at Different Scales
2018
DOI:10.1007/9783319723747_22



[7]

Timedependent pair density functional theory
The European Physical Journal B,
2018
DOI:10.1140/epjb/e2018900820



[8]

Phase dilemma in natural orbital functional theory from the Nrepresentability perspective
The European Physical Journal B,
2018
DOI:10.1140/epjb/e2018900788



[9]

On the performance of natural orbital functional approximations in the Hubbard model
Journal of Physics: Condensed Matter,
2017
DOI:10.1088/1361648X/aa80ca



[10]

Comment on “Generalization of the KohnSham system that can represent arbitrary oneelectron density matrices”
Physical Review A,
2017
DOI:10.1103/PhysRevA.96.046501



[11]

Chemical and ionization potentials: Relation via the Pauli potential and NOF theory
International Journal of Quantum Chemistry,
2016
DOI:10.1002/qua.25039



[12]

H4: A challenging system for natural orbital functional approximations
The Journal of Chemical Physics,
2015
DOI:10.1063/1.4934799



[13]

PNOF5 calculations based on the “thermodynamic fragment energy method”: C n H2n+2 (n = 1, 10) and (FH) n (n = 1, 8) as test cases
Theoretical Chemistry Accounts,
2015
DOI:10.1007/s002140151756x



[14]

Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case
Journal of Physics B: Atomic, Molecular and Optical Physics,
2014
DOI:10.1088/09534075/47/1/015101



[15]

Assessment of the secondorder perturbative corrections to PNOF5
Molecular Physics,
2014
DOI:10.1080/00268976.2013.854933



[16]

Two new constraints for the cumulant matrix
The Journal of Chemical Physics,
2014
DOI:10.1063/1.4903449



[17]

Perspective on natural orbital functional theory
International Journal of Quantum Chemistry,
2014
DOI:10.1002/qua.24663



[18]

Energy dependence with the number of particles: Density and reduced density matrices functionals
Chemical Physics Letters,
2014
DOI:10.1016/j.cplett.2013.12.071



[19]

Interacting pairs in natural orbital functional theory
The Journal of Chemical Physics,
2014
DOI:10.1063/1.4890653



[20]

Interpair electron correlation by secondorder perturbative corrections to PNOF5
The Journal of Chemical Physics,
2013
DOI:10.1063/1.4817946



[21]

The intrapair electron correlation in natural orbital functional theory
The Journal of Chemical Physics,
2013
DOI:10.1063/1.4844075


