Related papers: A biorthonormal formalism for nonadiabatic coupled…
We investigate the quantum mechanics of a single particle constrained to move along an arbitrary smooth reference curve by a confinement that is allowed to vary along the waveguide. The Schr\"odinger equation is evaluated in the adapted…
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…
Light front formalism for composite systems is presented. Derivation of equations for bound state and scattering problems are given. Methods of constructing of elastic form factors and scattering amplitudes of composite particles are…
The diagonal nonadiabatic term arising from the Born--Oppenheimer wave-function ansatz contains contributions from a vector and scalar potential. The former is provably zero when the wave function can be taken to be real valued, and the…
The work is devoted to studying some new classical electrodynamics models of interacting charged point particles and the aspects of the quantization via the Dirac procedure related to them. Based on the vacuum field theory no-geometry…
The contact formalism, devised to elucidate the important role of short-range correlations, was recently generalized for systems with coupled channels, such as the deuteron channel, where s and d waves are coupled into a $J=1$ state. The…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
Hamiltonians of a wide-spread class of strongly coupled quantum system models are expressed as nonlinear functions of $sl(2)$ generators. It enables us to use the $sl(2)$ formalism, in particular, $sl(2)$ generalized coherent states (GCS)…
Time-dependent response theories are foundational to the development of algorithms that determine quantum properties of electronic excited states of molecules and periodic systems. They are employed in wave-function, density-functional, and…
The goal of this contribution is to introduce the Hamiltonian formalism of theoretical mechanics for analysing motion in generic linear and non-linear dynamical systems, including particle accelerators. This framework allows the derivation…
In this paper we discuss a class of normal forms of the completely resonant non--linear Schr\"odinger equation on a torus. We stress the geometric and combinatorial constructions arising from this study. Further analytic considerations and…
General formulas of the two-electron operator representing either atomic or effective interactions are given in a coupled tensorial form in relativistic approximation. The alternatives of using uncoupled, coupled and antisymmetric…
The Lagrangian formalism is developed for the population dynamics of interacting species that are described by several well-known models. The formalism is based on standard Lagrangians, which represent differences between the physical…
We analyze the Schr\"odingerization method for quantum simulation of a general class of non-unitary dynamics with inhomogeneous source terms. The Schr\"odingerization technique, introduced in [31], transforms any linear ordinary and partial…
Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry an…
In this work, we focus on on the approach by noncommutative formal power series to study the combinatorial aspects of the renormalization at the singularities in $\{0,1,+\infty\}$ of the solutions of nonlinear differential equations…
The coupling of electronic and vibrational motion is studied by two canonical transformations namely normal coordinate transformation and momentum transformation on molecular Hamiltonian. It is shown that by these transformations we can…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
We perform rigorously the charge renormalization of the so-called reduced Bogoliubov-Dirac-Fock (rBDF) model. This nonlinear theory, based on the Dirac operator, describes atoms and molecules while taking into account vacuum polarization…
The geometrical mapping of algebraic nuclear cluster models is investigated within the coherent state formalism. Two models are considered: the Semimicroscopic Algebraic Cluster Model (SACM) and the Phenomenological Algebraic Cluster Model…