相关论文: Parameterized optimized effective potential for at…

It is possible in principle to probe the many--atom potential surface using density functional theory (DFT). This will allow us to apply DFT to the Hamiltonian formulation of atomic motion in monatomic liquids [\textit{Phys. Rev. E} {\bf…

We have derived a new method which allows to compute the full and the Pauli reference kinetic potentials for atoms and molecules in a real space representation. This is done by applying the optimized effective potential (OEP) method to…

We perform a study of various anharmonic potentials using a recently developed method. We calculate both the wave functions and the energy eigenvalues for the ground and first excited states of the quartic, sextic and octic potentials with…

Fundamental bounds on quadratic electromagnetic metrics are formulated and solved via convex optimization. Both dual formulation and method-of-moments formulation of the electric field integral equation are used as key ingredients. The…

Theoretical models of the strong nuclear interaction contain unknown coupling constants (parameters) that must be determined using a pool of calibration data. In cases where the models are complex, leading to time consuming calculations, it…

Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…

We present an exact expression for the evolution of the wavefunction of $N$ interacting atoms in an arbitrarily time-dependent, $d$-dimensional parabolic trap potential $\omega(t)$. The interaction potential between atoms is taken to be of…

In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…

We consider N atoms trapped in an isotropic harmonic potential, with s-wave interactions of infinite scattering length. In the zero-range limit, we obtain several exact analytical results: mapping between the trapped problem and the…

A recently developed finite element approach for fully numerical atomic structure calculations [S. Lehtola, Int. J. Quantum Chem. 119, e25945 (2019)] is extended to the description of atoms with spherically symmetric densities via…

We discuss the dynamics of a charged nonrelativistic particle in electromagnetic field of a rotating magnetized celestial body. The equations of motion of the particle are obtained and some particular solutions are found. Effective…

Ground state energies and decay widths of particle unstable nuclei are calculated within the Hartree-Fock approximation by performing a complex scaling of the many-body Hamiltonian. Through this transformation, the wave functions of the…

The dynamics of anisotropic particles are dictated by forces and torques that can be challenging to mathematically represent in computer simulations. Several data-driven approaches have been developed to approximate these interactions, but…

We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…

A pivotal task in quantum metrology, and quantum parameter estimation in general, is to de- sign schemes that achieve the highest precision with given resources. Standard models of quantum metrology usually assume the dynamics is fixed, the…

We review the effective field theories (EFTs) developed for few-nucleon systems. These EFTs are controlled expansions in momenta, where certain (leading-order) interactions are summed to all orders. At low energies, an EFT with only contact…

We propose a method to construct localized single particle wave functions using imaginary time projection and thereby determine lattice Hamiltonian parameters. We apply the method to a specific disordered potential generated by an optical…

Relevant metrological scenarios involve the simultaneous estimation of multiple parameters. The fundamental ingredient to achieve quantum-enhanced performances is based on the use of appropriately tailored quantum probes. However, reaching…

The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a…

Multi-mode optical interferometers represent the most viable platforms for the successful implementation of several quantum information schemes that take advantage of optical processing. Examples range from quantum communication, sensing…