5 citations · 6 across the 5 of their papers we have counts for
5 papers
Minimizing atomic configurations of short range pair potentials in two dimensions: crystallization in the Wulff shape
Yuen Au Yeung, Gero Friesecke, Bernd Schmidt
We investigate ground state configurations of atomic systems in two dimensions interacting via short range pair potentials. As the number of particles tends to infinity, we show th…
Minimum energy configurations of classical charges: Large N asymptotics
Stephane Capet, Gero Friesecke
We study minimum energy configurations of particles in of charge -1 (`electrons') in the potential of particles of charges (`atomic nuclei'). In a suitable l…
Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions
Luigi Ambrosio, Gero Friesecke, Jannis Giannoulis
We present a rigorous derivation of classical molecular dynamics (MD) from quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of molecular physics with Coul…
Asymptotics-based CI models for atoms: properties, exact solution of a minimal model for Li to Ne, and application to atomic spectra
Gero Friesecke, Benjamin D. Goddard
Configuration-Interaction (CI) models are approximations to the electronic Schrödinger equation which are widely used for numerical electronic structure calculations in quantum che…
Explicit large nuclear charge limit of electronic ground states for Li, Be, B, C, N, O, F, Ne and basic aspects of the periodic table
Gero Friesecke, Benjamin D. Goddard
This paper is concerned with the Schrödinger equation for atoms and ions with N=1 to 10 electrons. In the asymptotic limit of large nuclear charge , we determine explicitly the…