The quasiclassical approximation in Delos—Thorson close-coupled equations for inelastic scattering

Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics

“…D. V. Shalashilin also used a bipolar decomposition to solve the close-coupling equations (for inelastic scattering applications), albeit only as a semiclassical approximation. 38,39 The remainder of this paper is organized as follows. Sec.…”

“…In particular, Alexander and co-workers adopted such a scheme in the exact quantum solution of the close-coupling equations using log-derivative propagation, , although their choice of eq 1 decomposition does not avoid oscillatory field functions and is therefore not so useful for QTMs. Shalashilin also used a bipolar decomposition to solve the close-coupling equations (for inelastic scattering applications), albeit only as a semiclassical approximation. , …”

“…Shalashilin also used a bipolar decomposition to solve the close-coupling equations (for inelastic scattering applications), albeit only as a semiclassical approximation. 38,39 The remainder of this paper is organized as follows. Section 2 discusses theoretical and algorithmic developments, both for single-surface dynamics calculations (Section 2A) and the multisurface case (Section 2B,C).…”

Nonadiabatic effects in two-level systems: A classical analysis

“…Besides, the electronic Bohr frequencies V /h = pd,~remain unchanged, being quantal quantities. A similar approach may be found in the literature [9,10]. In our case, the remaining quantum part of our Hamiltonian consists in finite dimensional operators, so that the evolution operator will consist only of ordinary differential equations, as will be seen.…”

“…Also, classical dynamics ou two surfaces, allowing for hopping in a Landau-Zener scheme has been addressed to, in order to see the appearance of classical chaos [8]. Because of the complexity of the quantum evolution equations, especially in several spatial dimensions, there has been several attempts to reduce the problem to a "hemi-quantal" one [9,10]. The fast sector is treated as fully quantum as possible, whereas the slow sector is treated classically.…”