van der Waals (vdW) dispersion interactions strongly impact the properties of molecules and materials. Often, the description of vdW interactions should account for the coupling with pervasive electric fields, stemming from membranes, ionic channels, liquids, or nearby charged functional groups. However, this quantum-mechanical effect has been omitted in atomistic simulations, even in widely employed electronic-structure methods. Here, we develop a model and study the effects of an external charge on long-range vdW correlations. We show that a positive external charge stabilizes dispersion interactions, whereas a negative charge has an opposite effect. Our analytical results are benchmarked on a series of (bio)molecular dimers and supported...
Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemica...
peer reviewedQuantum-mechanical van der Waals dispersion interactions play an essential role in intr...
We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tessela...
van der Waals (vdW) dispersion interactions strongly impact the properties of molecules and material...
Intermolecular interactions are paramount for the stability, dynamics and response of systems acros...
This work reviews the increasing evidence that many-body van der Waals (vdW) or dispersion interacti...
Noncovalent van der Waals (vdW) or dispersion forces are ubiquitous in nature and influence the stru...
How strong is the effect of van der Waals (vdW) interactions on the electronic properties of molecul...
It is an undisputed textbook fact that nonretarded van der Waals (vdW) interactions between isotropi...
peer reviewedMutual Coulomb interactions between electrons lead to a plethora of interesting physica...
Van der Waals (vdW) interactions are ubiquitous in molecules and condensed matter, and play a crucia...
van der Waals (vdW) dispersion interactions are a key ingredient in the structure, stability, and re...
Contains fulltext : mmubn000001_028380924.pdf (publisher's version ) (Open Access)...
Sparse matter is abundant in Nature. It encompasses systems characterized by an intrinsic low densit...
Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemica...
peer reviewedQuantum-mechanical van der Waals dispersion interactions play an essential role in intr...
We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tessela...
van der Waals (vdW) dispersion interactions strongly impact the properties of molecules and material...
Intermolecular interactions are paramount for the stability, dynamics and response of systems acros...
This work reviews the increasing evidence that many-body van der Waals (vdW) or dispersion interacti...
Noncovalent van der Waals (vdW) or dispersion forces are ubiquitous in nature and influence the stru...
How strong is the effect of van der Waals (vdW) interactions on the electronic properties of molecul...
It is an undisputed textbook fact that nonretarded van der Waals (vdW) interactions between isotropi...
peer reviewedMutual Coulomb interactions between electrons lead to a plethora of interesting physica...
Van der Waals (vdW) interactions are ubiquitous in molecules and condensed matter, and play a crucia...
van der Waals (vdW) dispersion interactions are a key ingredient in the structure, stability, and re...
Contains fulltext : mmubn000001_028380924.pdf (publisher's version ) (Open Access)...
Sparse matter is abundant in Nature. It encompasses systems characterized by an intrinsic low densit...
Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemica...
peer reviewedQuantum-mechanical van der Waals dispersion interactions play an essential role in intr...
We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tessela...