We propose a simple method for simulating a general class of nonunitary dynamics as a
linear combination of Hamiltonian simulation (LCHS) problems. LCHS does not rely on …

The photoinduced hydrogen elimination reaction in phenol via the conical intersections of
the dissociative π 1 σ* state with the π 1 π* state and the electronic ground state has been …

The time evolution of a wave packet in strained graphene is studied within the tight-binding
model and continuum model. The effect of an external magnetic field, as well as a strain …

The chapter deals with the quantum theory of reactive scattering and molecular
photodissociation. In particular it addresses the application of time‐dependent wavepacket …

Starting from a model study of the collinear (H, H2) exchange reaction in 1959, the time-
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …

We investigate the dynamics of a bimolecular reaction on conically intersecting potential
energy surfaces. The flux operator method of calculating the state-specific total reaction …

Although the reaction He++ H2→ He+ H2+ is highly exothermic and the reaction He+ H2+→
HeH++ H is endothermic, the latter reaction occurs more readily than the former because of …

The photoinduced hydrogen elimination reaction in thiophenol via the conical intersections
of the dissociative 1 πσ* excited state with the bound 1 ππ* excited state and the electronic …

The time evolution of a wave packet injected into a semiconductor quantum ring is
investigated in order to obtain the transmission and reflection probabilities. Within the …

Time-dependent quantum wave packet dynamics study is carried out to investigate the initial
state selected channel specific reactivity of H+ LiH collisional system on a new and more …