Evert Jan Baerends

The rocky path of DFT into chemistry—Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953–2025

Sture Nordholm, Evert Jan Baerends, Kieron Burke, Peter M. W. Gill et autres

se, nl, us, au, de, no, ca, fr, gb (code pays fourni par la source)

Improved TDDFT Excitation Energies with an Accurate Kohn–Sham Potential: Reassessment of the Double-Excitation Character of the Low Lying 2 1 A g Excited State of s-Trans-1,3-Butadiene

Evert Jan Baerends, Mario Amati, Sonia Stoia

nl, it (code pays fourni par la source)

The Amsterdam Modeling Suite

Evert Jan Baerends, Néstor F. Aguirre, N. Austin, Jochen Autschbach et autres

nl, us, Afrique du Sud, it, de, pl, ca, es, cz (code pays fourni par la source)

Dispersion Energies with the i-DMFT Method

Yihan Hu, Xiaowei Sheng, Jian Wang, Evert Jan Baerends

cn, nl (code pays fourni par la source)

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo et autres

gb, no, fr, de, ca, nl, it, mx, us, in, be, au, cl, dk, il, pl, nz, ch, cn (code pays fourni par la source)

Secondary Kinetic Peak in the Kohn–Sham Potential and Its Connection to the Response Step

Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends, Klaas J. H. Giesbertz

us, nl (code pays fourni par la source)

Reply to Comment on "Self-Consistent-Field Method for Correlated Many-Electron Systems with an Entropic Cumulant Energy", arXiv2202.05532v1

Jian Wang, Evert Jan Baerends

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science

Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo et autres

gb, no, fr, de, ca, nl, it, mx, us, in, be, au, cl, dk, il, pl, nz, ch, cn (code pays fourni par la source)

Chemical potential, derivative discontinuity, fractional electrons, jump of the Kohn-Sham potential, atoms as thermodynamic open systems, and other (mis)conceptions of the density functional theory of electrons in molecules

Evert Jan Baerends

nl (code pays fourni par la source)

Secondary kinetic peak in the Kohn-Sham potential and its connection to the response step

Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends, Klaas J. H. Giesbertz

Chemical potential, derivative discontinuity, fractional electrons, jump of the Kohn–Sham potential, atoms as thermodynamic open systems, and other (mis)conceptions of the density functional theory of electrons in molecules

Evert Jan Baerends

nl (code pays fourni par la source)

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo et autres

gb, no, fr, de, ca, nl, it, mx, us, in, be, au, cn, cl, dk, il, pl, nz, ch (code pays fourni par la source)