Related papers: Atomic kinetic energy, momentum distribution and s…
The nuclear force acting between protons and neutrons is studied in the Monte Carlo simulations of the fundamental theory of the strong interaction, the quantum chromodynamics defined on the hypercubic space-time lattice. After a brief…
Using the exact $N$-particle ground state wave function for a one-dimensional gas of hard-core bosons in a harmonic trap we develop an algorithm to compute the reduced single-particle density matrix and corresponding momentum distribution.…
Accurate quantum mechanics based predictions of property trends are so important for materials design and discovery that even inexpensive approximate methods are valuable. We use the Alchemical Integral Transform (AIT) to study…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…
We discuss the construction of a nuclear Energy Density Functional (EDF) from ab initio calculations, and we advocate the need of a methodical approach that is free from ad hoc assumptions. The equations of state (EoS) of symmetric nuclear…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
Within the nonlinear relativistic mean field model, we derive the analytical expression of the nuclear matter fourth-order symmetry energy $E_{sym,4}(\rho)$. Based on two accurately calibrated interactions FSUGold and IU-FSU, our results…
A phenomenological method based on the natural orbital representation is applied to construct the ground state one-body density matrix which describes correctly both density and momentum distributions in $^{4}He$, $^{16}O$ and $^{40}Ca$…
We report benchmark calculations of the energy per particle of pure neutron matter as a function of the baryon density using three independent many-body methods: Brueckner-Bethe-Goldstone, Fermi hypernetted chain/single-operator chain, and…
We study the density distribution of the minimally-coupled scalar field dark energy inside a neutron star. The dark energy is considered in the hydrodynamical representation as a perfect fluid with three parameters (background density,…
Our electronic structure theory for crystalline solids is commonly built on the periodic potential assumption $V(\mathbf r)=V(\mathbf r+\mathbf R)$ for every lattice translation $\mathbf R$, enabling Bloch eigenstates, crystal momentum as a…
All-electron variational and diffusion quantum Monte Carlo calculations of the ground state energies of the first row atoms (Li to Ne) are reported. We use trial wavefunctions of four types: single determinant Slater-Jastrow wavefunctions;…
We report Dirac-Fock calculations of transition energies for kaonic neon (KNe). For the most intense line, the 7-6 transition, the calculated energy is 9450.28 eV, which includes a bound-state QED (BSQED) contribution of 12.66 eV. This is…
Experimental studies of electron mobilities in Neon as a function of the gas density have persistently shown mobilities up to an order of magnitude smaller than expected and predicted. A previously ignored mechanism (gas in--homogeneity…
A molecule model is proposed for the description of the properties of the kaonic nuclear cluster (KNC) anti-KNN with the structure N(ant-KN)_(I = 0) and quantum numbers I(J^P) = 1/2(0^-), the large binding energy B^(\exp)_(anti-KNN) =…
We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of normal liquid $^3$He without any nodal constraints. This allows us to study the effects of temperature on different structural properties like the…
The vibrational entropy of a solid at finite temperature is investigated from the perspective of information theory. Ab initio molecular dynamics (AIMD) simulations generate ensembles of atomic configurations at finite temperature from…
We theoretically investigate kaonic atom states based on the latest high precision data of the $2p$ states of the kaonic atoms in $^3$He and $^4$He (J-PARC E62). We consider the phenomenological form for the optical potential proportional…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
A consistent Hartree-Fock study of the equation of state (EOS) of asymmetric nuclear matter at finite temperature has been performed using realistic choices of the effective, density dependent nucleon-nucleon (NN) interaction, which were…