Related papers: Factorized electron-nuclear dynamics with effectiv…
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
The quantum photodynamics of a simple diatomic molecule with a permanent dipole immersed within an optical cavity containing a quantized radiation field is studied in detail. The chosen molecule under study, lithium fluoride (LiF), is…
We point out that, under certain conditions, the nuclear currents that couple to vector bosons can be written as the trace of the product of two matrices. One contains `nucleon dynamics', e.g. form factors, the other contains the overlaps…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
A microscopic description of nuclear fission represents one of the most challenging problems in nuclear theory. While phenomenological coordinates, such as multipole moments, have often been employed to describe fission, it is not obvious…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
We present a quaternion-inspired formalism specifically developed to evaluate the electric current that traverses a single molecule subjected to an externally applied voltage. The molecule of interest is covalently connected to two small…
We introduce a method for solving the problem of an externally controlled electron spin in a quantum dot interacting with host nuclei via the hyperfine interaction. Our method accounts for generalized (non-unitary) evolution effected by…
While doing electromagnetic analysis using FEM (Finite element method), if we can implement the underlying symmetric nature of the problem, there will be significant reduction in the computational cost. Symmetric nature of the problem can…
Nucleon momentum distributions (NMDs) reveal essential information about Fermi motion and short-range correlations (SRCs). In extracting NMDs from inclusive electron scattering data, theoretical analyses, such as the scaling analysis, are…
The Exact Factorization (EF) theory aims at the separation of the nuclear and electronic degrees of freedom in the many-body (MB) quantum mechanical problem. Being formally equivalent to the solution of the MB Schr\"{o}dinger equation, EF…
Several methods in nonadiabatic molecular dynamics are based on Madelung's hydrodynamic description of nuclear motion, while the electronic component is treated as a finite-dimensional quantum system. In this context, the quantum potential…
The present paper is the second of a series of publications that aim at investigating relevant directions to turn the nuclear energy density functional (EDF) method as an effective field theory (EFT). The EDF approach has known numerous…
The dynamical symmetries of the Kratzer-type molecular potentials (generalized Kratzer molecular potentials) are studied by using the factorization method. The creation and annihilation (ladder) operators for the radial eigenfunctions…
We recently introduced a quantized fluctuational electrodynamics (QFED) formalism that provides a physically insightful definition of an effective position-dependent photon-number operator and the associated ladder operators. However, this…
We develop a field theory formalism for the disordered interacting electron liquid in the dynamical Keldysh formulation. This formalism is an alternative to the previously used replica technique. In addition it naturally allows for the…
The rapidly developing and converging fields of polaritonic chemistry and quantum optics necessitate a unified approach to predict strongly-correlated light-matter interactions with atomic-scale resolution. Combining concepts from both…
A recently introduced analytical model for the nuclear density profile[1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy…
In this paper, we explore (2+1)D quantum electrodynamics (QED) at finite density on a quantum computer, including two fermion flavors. Our method employs an efficient gauge-invariant ansatz together with a quantum circuit structure that…
The dynamics of highly magnetized plasmas in extreme astrophysical environments are effectively modeled by Force-Free Electrodynamics (FFE), a framework essential for studying objects like neutron stars and accreting black holes. The…