Related papers: Residual interaction in Second RPA with density-de…
We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the localized resolution of identity scheme. The more efficient…
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In…
We report the formation of alternating strings and clusters in a binary suspension of repulsive charged colloids with double layers larger than the particle size. Within a binary cell model we include many-body and charge-regulation effects…
Entanglement can modify the interference patterns of multi-particle systems. We analyse, using the path integral formalism, a novel example of multi-particle interference and some unexplored aspects of this phenomenon by considering the…
Regularization and renormalization is discussed in the context of low-energy effective field theory treatments of two or more heavy particles (such as nucleons). It is desirable to regulate the contact interactions from the outset by…
In the non-relativistic description of the reaction of composite particles, the reaction matrix is independent of the choice of post or prior forms for the interaction. We generalize this post-prior equivalence to the relativistic reaction…
A new formalism and computer code, ASTRA (AttoSecond TRAnsitions), has been developed to treat the interactions of short, intense radiation with molecules. The formalism makes extensive use of transition density matrices, computed using a…
To describe many-particle systems suspended in incompressible low-Reynolds-number fluids, effective hydrodynamic interactions can be introduced. Here, we consider particles embedded in elastic media. The effective elastic interactions…
By using long-range interacting polygons, we experimentally probe the coupling between particle shape and long-range interaction. For two typical space-filling polygons, square and triangle, we find two types of coupling modes that…
We study the influence of many-particle interaction in a system which, in the single particle case, exhibits a metal-insulator transition induced by a finite amount of onsite pontential fluctuations. Thereby, we consider the problem of…
A system with many degrees of freedom can be characterized by a covariance matrix; principal components analysis (PCA) focuses on the eigenvalues of this matrix, hoping to find a lower dimensional description. But when the spectrum is…
Methods for correcting residual energy errors of configuration interaction (CI) calculations of molecules and other electronic systems are discussed based on the assumption that the energy defect can be mapped onto atomic regions. The…
We discuss how the renormalization group can be used to derive effective nuclear interactions. Starting from the model-independent low-momentum interaction V_{low k}, we successively integrate out high-lying particle and hole states from…
For states of quantum systems of $N$ particles with harmonic interactions we prove that each reduced density matrix $\rho$ obeys a duality condition. This condition implies duality relations for the eigenvalues $\lambda_k$ of $\rho$ and…
At the microscopic level, plastic flow of a jammed, disordered material consists of a series of particle rearrangements that cannot be reversed by subsequent deformation. An infinitesimal deformation of the same material has no…
The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…
We investigate the emergence of rigid polycrystalline structures from atomistic particle systems. The atomic interaction is governed by a suitably normalized pair interaction energy, where the `sticky disk' interaction potential models the…
The interaction between passive and active/driven particles has introduced a new way to control colloidal suspension properties from particle aggregation to crystallization. Here, we focus on the hydrodynamic interaction between a single…
The inter-molecular structure of semidilute polymer solutions is studied theoretically. The low density limit of a generalized Ornstein-Zernicke integral equation approach to polymeric liquids is considered. Scaling laws for the…
Higher-order representations of objects such as programs, proofs, formulas and types have become important to many symbolic computation tasks. Systems that support such representations usually depend on the implementation of an intensional…