R. van Meer

发表

A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.

E. Baerends, O. Gritsenko, R. van Meer, 2018, The Journal of chemical physics.

Stereodirecting effect of the pyranosyl C-5 substituent in glycosylation reactions.

H. Overkleeft, G. A. van der Marel, G. Lodder, 2009, The Journal of organic chemistry.

Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

E. Baerends, O. Gritsenko, R. van Meer, 2014, Journal of chemical theory and computation.

The density matrix functional approach to electron correlation: dynamic and nondynamic correlation along the full dissociation coordinate.

E. Baerends, O. Gritsenko, Ł. Mentel, 2014, The Journal of chemical physics.

The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energies.

E J Baerends, E. Baerends, O. Gritsenko, 2013, Physical chemistry chemical physics : PCCP.

Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections.

K. Pernal, O. Gritsenko, R. van Meer, 2019, The Journal of chemical physics.

Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems.

E. Baerends, O. Gritsenko, R. van Meer, 2014, The Journal of chemical physics.

Bond-breaking excitations with diverging coupling matrix of response density functional theory from highest-level functionals

O. Gritsenko, R. van Meer, 2018, The European Physical Journal B.

Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory.

E. Baerends, O. Gritsenko, R. van Meer, 2017, The Journal of chemical physics.

Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals.

E. Baerends, R. van Meer, O V Gritsenko, 2013, The Journal of chemical physics.