Related papers: Geminal-Based Configuration Interaction
We use a variational wave function to calculate the energy of the interaction between external charges in the compact Abelian gauge theory in 2+1 dimensions with mixed action. Our variational wave functions preserve the compact gauge…
We discuss various approaches to modeling the interatomic interactions for molecular dynamics with special focus on the geometrical structural properties. The type of interactions considered are so called reactive force fields, i.e.…
Previous work has developed the theory of linearized gravitational wave (GW) interactions with matter using the Bondi-Sachs formalism, but with the perturbations restricted to be quadrupolar, i.e., the angular dependence is spherical…
The accurate but expensive product of geminals ansatz may be approximated by a geminal power, but this approach sacrifices size consistency. Here we show both analytically and numerically that a size consistent form very similar to the…
We investigate the use of invariant polynomials in the construction of data-driven interatomic potentials for material systems. The "atomic body-ordered permutation-invariant polynomials" (aPIPs) comprise a systematic basis and are…
Amorphous calcium carbonate (ACC) is an important precursor for biomineralisation in marine organisms. Among the key outstanding problems regarding ACC are how best to understand its structure and how to rationalise its metastability as an…
We calculate Lambda alpha, Sigma alpha and Xi alpha potentials from the nuclear-matter G-matrices of the SU6 quark-model baryon-baryon interaction. The alpha-cluster wave function is assumed to be a simple harmonic-oscillator shell-model…
We develop a method to design tunable quasiperiodic structures of particles suspended in a fluid by controlling standing acoustic waves. One application of our results is to ultrasound directed self-assembly, which allows fabricating…
A method for the calculation of translationally invariant wave functions for systems of identical fermions with arbitrary potential of pair interaction is developed. It is based on the well-known result that the essential dynamic part of…
In this paper, a comparison analysis between geometric impedance controls (GICs) derived from two different potential functions on SE(3) for robotic manipulators is presented. The first potential function is defined on the Lie group,…
The geometric phase (GP) is a fundamental quantum effect arising from conical intersections (CIs), with profound consequences for vibronic energy levels. Standard imaginary-time path integral molecular dynamics (PIMD) based on the…
We demonstrate that tunable attractive (bonding) and repulsive (anti-bonding) forces can arise in highly asymmetric structures coupled to external radiation, a consequence of the bonding/anti-bonding level repulsion of guided-wave…
Electronic resonances are metastable states that can decay by electron loss. They are ubiquitous across various fields of science, such as chemistry, physics, and biology. However, current theoretical and computational models for resonances…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
We investigate the interaction between active galactic nuclei (AGN) jets and the intracluster medium (ICM) of galaxy clusters. Specifically, we study the efficiency with which jets can drive sound waves into the ICM. Previous works focused…
In a nonlinear three-wave mixing process, the interacting waves can accumulate an adiabatic geometric phase (AGP) if the nonlinear coefficient of the crystal is modulated in a proper manner along the nonlinear crystal. This concept was…
The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding…
We apply the envelope function approach to abrupt heterostructures starting with the least action principle for the microscopic wave function. The interface is treated nonperturbatively, and our approach is applicable to mismatched…
We propose that the behavior of asymmetric binary fluid mixtures with a large class of attractive or repulsive interparticle interactions can be understood by mapping onto effective non-additive hard-sphere models. The latter are best…
In many strongly correlated electron systems, non-Fermi liquid behavior and unconventional superconductivity can be viewed as emerging from an effective 4-fermion interaction with a singular frequency dependence. A pairing instability in…