Related papers: A biorthonormal formalism for nonadiabatic coupled…
We develop a formalism to accurately account for the renormalization of electronic structure due to quantum and thermal nuclear motions within the Born-Oppenheimer approximation. We focus on the fundamental energy gap obtained from…
A "minimal" generalization of Quantum Mechanics is proposed, where the Lagrangian or the action functional is a mapping from the (classical) states of a system to the Lie algebra of a general compact Lie group, and the wave function takes…
We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…
In this second in a series of four articles we create a mathematical formalism sufficient to represent nontrivial hamiltonian quantum dynamics, including resonances. Some parts of this construction are also mathematically necessary. The…
A rigorous two-thermostat formulation for ab-initio molecular dynamics using the fictitious Lagrangian approach is presented. It integrates the concepts of mass renormalization and temperature control for the wave functions. The new…
A particle-triaxial rigid core Hamiltonian is semi-classically treated. The coupling term corresponds to a particle rigidly coupled to the triaxial core, along a direction that does not belong to any principal plane of the inertia…
Nonrelativistic conformal groups, indexed by l=N/2, are analyzed. Under the assumption that the "mass" parametrizing the central extension is nonvanishing the coadjoint orbits are classified and described in terms of convenient variables.…
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…
An arbitrary form of complex potential perturbation in an oscillator consists of many exciting questions in open quantum systems. These often provide valuable insights in a realistic scenario when a quantum system interacts with external…
The 2$\alpha+t$ cluster structure in $^{11}$B is investigated by the microscopic generator coordinate method (GCM) with the Brink cluster wave functions. With a proper choice of the parameters of the effective interaction, the calculated…
In this paper we show how relativistic tensor dynamics and relativistic electrodynamics can be formulated in a biquaternion tensor language. The treatment is restricted to mathematical physics, known facts as the Lorentz Force Law and the…
This article describes a method for calculating higher order or nonadiabatic corrections in Born-Oppenheimer theory and its interaction with the translational degrees of freedom. The method uses the Wigner-Weyl correspondence to map nuclear…
Considered is the Schr\"odinger equation in a finite-dimensional space as an equation of mathematical physics derivable from the variational principle and treatable in terms of the Lagrange-Hamilton formalism. It provides an interesting…
Dissipative quantum systems are sometimes phenomenologically described in terms of a non-hermitian hamiltonian $H$, with different left and right eigenvectors forming a bi-orthogonal basis. It is shown that the dynamics of waves in open…
We perform a systematic one-loop renormalization to the standard model with a nonlinearly realized Higgs boson field and the electroweak chiral Lagrangian up to $O(p^2)$ order. We find even in the nonlinear form, the Higgs model of the…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…
A simple mathematical procedure is introduced which allows redefining in an exact way divergent integrals and limits that appear in the basic equations of classical electrodynamics with point charges. In this way all divergences are at once…
The recent improvement in experimental capabilities for interrogating and controlling molecular systems with ultrafast coherent light sources calls for the development of theoretical approaches that can accurately and efficiently treat…
We develop and implement an exact conical intersection nonadiabatic wave packet dynamics method that combines the local diabatic representation, Strang splitting for the total molecular propagator, and discrete variable representation with…