Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Molecules Chemical Compounds
Discrete Fourier transforms Chemical Compounds
orbitals Physics & Astronomy
Electrons Chemical Compounds
Potential energy surfaces Chemical Compounds
functionals Physics & Astronomy

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Profiles

No photo of Nick Austin

Nick Austin

Person: Academic

No photo of E.J. Baerends

E.J. Baerends

Person: Academic

19902018

Research Output 1978 2018

functionals
configuration interaction
orbitals
multipoles
Molecules

Approximations in Density Functional Based Excited State Calculations

Rüger, R. 2018 115 p.

Research output: ThesisPhD Thesis - Research VU, graduation VU

Open Access
File

Assessment of interaction-strength interpolation formulas for gold and silver clusters

Giarrusso, S., Gori-Giorgi, P., Della Sala, F. & Fabiano, E. 7 Apr 2018 In : Journal of Chemical Physics. 148, 13, 134106

Research output: Contribution to journalArticle

Ionization potential
Atomization
Precious metals
Silver
functionals