Related papers: Four center integrals for Coulomb interactions in …
Fusion of two deuterons of room temperature energy is discussed. The nuclei are in vacuum with no connection to any external source (electric or magnetic field, illumination, surrounding matter, traps, etc.) which may accelerate them. The…
We propose that spatial density matrices, which are singularly important in the study of quantum entanglement, encode the electronic fluctuations and correlations responsible for covalent bonding. From these density matrices, we develop…
We discuss the elementary physics of the final state Coulomb interactions in Hanbury-Brown Twiss interferometry, showing -- with explicit comparison to E877 data for $\pi^+\pi^-$ and $\pi^\pm p$ -- that the Coulomb corrections in the pair…
Final state interactions in two-particle interferometry is considered for two-particle potentials which are the Coulomb plus "strong" one. For a simple model of the source we provide a full numerical calculation of the correlation function…
A unified formula for analytical evaluation of two-center exchange, hybrid and coulombic type integrals is presented.
Although many programs have been published for fully numerical Hartree--Fock (HF) or density functional (DF) calculations on atoms, we are not aware of any that support hybrid DFs, which are popular within the quantum chemistry community…
The triple differential cross section of $^{208}\rm{Pb}(^6\rm{Li};\alpha,\rm{d})^{208}\rm{Pb}$ elastic Coulomb breakup is calculated using the semiclassical method. We fit the parameters of the Woods-Saxon potential using the experimental…
Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…
Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
We present a unified framework for studying Coulomb interactions in arbitrary environments using macroscopic quantum electrodynamics on the basis of the electromagnetic Green's function. Our theory can be used to derive the Coulomb…
A linear-scaling algorithm is presented for computing the Hartree-Fock (HF) exchange matrix using concentric atomic density fitting. The algorithm utilizes the stronger distance dependence of the three-center electron repulsion integrals…
The present work proposes to use density-functional theory (DFT) to correct for the basis-set error of wave-function theory (WFT). One of the key ideas developed here is to define a range-separation parameter which automatically adapts to a…
The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…
The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e.…
By extending the concept of Euler-angle rotations to more than three dimensions, we develop the systematics under rotations in higher-dimensional space for a novel set of hyperspherical harmonics. Applying this formalism, we determine all…
The ground-state properties of C$_{20}$ fullerene clusters are determined in the framework of the Hubbard model by using lattice density-functional theory (LDFT) and scaling approximations to the interaction-energy functional. Results are…
Breakup reactions are generally quite complicated, they involve nuclear and electromagnetic forces including interference effects. Coulomb dissociation is an especially simple and important mechanism since the perturbation due to the…
All integrals needed to evaluate the correlated wave functions with polynomial terms of inter-electronic distance are included. For this form of the wave function, the integrals needed can be expressed as a product of integrals involving at…
This work addresses the incorporation of Coulomb interactions into femtoscopy correlation functions (CFs) used to probe hadron interactions. Combining strong contact potentials with Coulomb effects, the derived scattering amplitudes and…