Related papers: Quantum Simulation of non-Born-Oppenheimer dynamic…
We report on accurate variational calculations of the Born-Oppenheimer potential for excited states of the hydrogen molecule with $\Pi$, $\Delta$, and $\Phi$ symmetries. The obtained potential energy curves reach the relative precision of…
In this work, we analyze the noncommutative three-dimensional Coulomb potential problem. For this purpose, we used the Kustaanheimo-Stiefel mapping to write the Schr\"odinger equation for Coulomb potential in a solvable way. Then, the…
Recent investigations revealed that the near horizon Hamiltonian of a massless, chargeless outgoing particle, for its particular motion in static as well as stationary black holes, is effectively $\sim xp$ kind. This is unstable by nature…
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…
We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation,…
The intrinsic and dynamic kinetic energies, and the potential energies of electron states in the hydrogen atom, were determined using the operator formalism in the Schrodinger nonrelativistic equation. Intrinsic energies were determined…
The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…
The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…
While Born-Oppenheimer molecular dynamics (BOMD) has been widely studied by resorting to powerful methods in mathematical analysis, this paper presents a geometric formulation in terms of Hamilton's variational principle and…
We solve numerically exactly a simple toy model to quantum general relativity or more properly to path integral on a curved space. We consider the thermal equilibrium of a quantum many body problem on the sphere, the surface of constant…
We apply the asymptotic iteration method (AIM) to obtain the solutions of Schrodinger equation in the presence of Poschl-Teller (PT) potential. We also obtain the solutions of Dirac equation for the same potential under the condition of…
Trapped Bosons exhibit fundamental physical phenomena and are potentially useful for quantum technologies. We present a method for simulating Bosons using path integral molecular dynamics. A main challenge for simulations is including all…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
The influence of continuous measurements of energy with a finite accuracy is studied in various quantum systems through a restriction of the Feynman path-integrals around the measurement result. The method, which is equivalent to consider…
The Feynman path integral for nonrelativistic quantum electrodynamics is studied mathematically of a standard model in physics, where the electromagnetic potential is assumed to be periodic with respect to a large box and quantized thorough…
By using a Coulomb potential modified by the interaction between the magnetic moments of the electron and proton, we have calculated the energy levels of a hydrogen atom. We have obtained fine structure, hyperfine structure and the Lamb…
This paper posits the existence of, and finds a candidate for, a variable change that allows quantum mechanics to be interpreted as quantum geometry. The Bohr model of the Hydrogen atom is thought of in terms of an indeterministic electron…
A path integral method, combined with atomistic spin dynamics simulations, has been developed to calculate thermal quantum expectation values using a classical approach. In this study, we show how to treat Hamiltonians with non-linear…
We consider Feynman's path integral approach to quantum mechanics with a noncommutativity in position and momentum sectors of the phase space. We show that a quantum-mechanical system with this kind of noncommutativity is equivalent to the…