Related papers: A biorthonormal formalism for nonadiabatic coupled…
We consider the scalar sector of the effective non-linear electroweak Lagrangian with a light "Higgs" particle, up to four derivatives in the chiral expansion. The complete off-shell renormalization procedure is implemented, including one…
A generalized dynamics is postulated in a product space ${\cal R}^{3}\times {\cal S}^{1}$ with ${\cal R}^3$ representing the configuration space of a one particle system to which is attached the U(1) fibre bundle represented by the manifold…
By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals…
Nonadiabatic ring-polymer molecular dynamics employs the mapping approach to describe nonadiabatic effects within the ring-polymer ansatz. In this paper, it is generalized to allow for the nuclear and electronic degrees of freedom to be…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
The self-consistent description of Langmuir wave and ion-sound wave turbulence in the presence of an electron beam is presented for inhomogeneous non-isothermal plasmas. Full numerical solutions of the complete set of kinetic equations for…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…
A system of two bilinearly coupled harmonic oscillators has been solved analytically by using the Born-Oppenheimer (BO) product wavefunction ansatz and the phase-space bound trajectory approach [J. S. Molano et al., Chem. Phys. Lett.…
Properly spin-adapted coupled-cluster theory for general open-shell configurations remains an active area of research in electronic structure theory. In this contribution we examine Lindgren's normal-ordered exponential ansatz to correlate…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
We develop a dual description of quantum optics adapted to dielectric systems without magnetic property. Our formalism, which is shown to be equivalent to the standard one within some dipolar approximations discussed in the article, is…
In this paper, we present a theoretical study of a conjonction of $\gamma$-rigid and $\gamma$-stable collective motions in critical point symmetries of the phase transitions from spherical to deformed shapes of nuclei using exactly…
It is shown that `bipartite' wave functions can present a mathematical formalism of quantum theory for a single particle, in which the associated Schr\"{o}dinger's wave functions correspond to those `bipartite' wave functions of product…
The nonorthogonality of coherent states is a fundamental property which prevents them from being perfectly and deterministically discriminated. To circumvent this problem, we present an experimentally feasible protocol for the probabilistic…
Within the context of very simple avoided crossing, we investigate the investigate the effect of a complex diabatic coupling in determining spin-dependent rate constants and scattering states. We find that, if the molecular geometry is not…
Excited-state molecular dynamics (ESMD) simulations near conical intersections (CIs) pose significant challenges when using machine learning potentials (MLPs). Although MLPs have gained recognition for their integration into mixed…
Two different formalisms for the homogenization of composite materials containing oriented ellipsoidal particles of isotropic dielectric materials are being named after Bruggeman. Numerical studies reveal clear differences between the two…
Quantum computation is an attractive front for many problems that are intractable for computers today. One such problem is nonadiabatic quantum molecular dynamics, where quantized internal states coupling to parameterized modes result in a…