109 citations · 927 across the 41 of their papers we have counts for
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Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties
Szabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli +2
The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and m…
Comprehensive Quantum Framework for Describing Retarded and Non-Retarded Molecular Interactions in External Electric Fields
Mohammad Reza Karimpour, Dmitry V. Fedorov, Alexandre Tkatchenko
We employ various quantum-mechanical approaches for studying the impact of electric fields on both nonretarded and retarded noncovalent interactions between atoms or molecules. To…
Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics
Mohammad Reza Karimpour, Dmitry V. Fedorov, Alexandre Tkatchenko
By means of quantum mechanics and quantum electrodynamics applied to coupled harmonic Drude oscillators, we study the interaction between two neutral atoms or molecules subject to…
Quantum-Mechanical Force Balance Between Multipolar Dispersion and Pauli Repulsion in Atomic van der Waals Dimers
Ornella Vaccarelli, Dmitry V. Fedorov, Martin Stöhr +1
The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and re…
Fine-Structure Constant Connects the Polarizability of Atoms and Vacuum
Alexandre Tkatchenko, Dmitry V. Fedorov
We examine the recently derived quantum-mechanical relation between atomic polarizabilities and equilibrium internuclear distances in van der Waals (vdW) bonded diatomic systems [P…
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Dmitry V. Fedorov, Mainak Sadhukhan, Martin Stöhr +1
The atomic dipole polarizability, , and the van der Waals (vdW) radius, , are two key quantities to describe vdW interactions between atoms in molecules and materia…