Laser pulses, quantum dynamics Hamiltonian-dynamical resonances

The first volume contained nine state-of-the-art chapters on fundamental aspects, on formalism, and on a variety of applications. The various discussions employ both stationary and time-dependent frameworks, with Hermitian and non-Hermitian Hamiltonian constructions. A variety of formal and computational results address themes from quantum and statistical mechanics to the detailed analysis of time evolution of material or photon wave packets, from the difficult problem of combining advanced many-electron methods with properties of field-free and field-induced resonances to the dynamics of molecular processes and coherence effects in strong electromagnetic fields and strong laser pulses, from portrayals of novel phase space approaches of quantum reactive scattering to aspects of recent developments related to quantum information processing. 

Quantum dynamics simulations of the UV absorption spectrum and of the electronic state population dynamics of the molecule excited by a short laser pulse resonant with the transition to the bright B2u t t ) state, based on the models described in Sect. 5.3 were performed using the MCTDH method in the multi-set formalism (see Sect. 4.2.5 in Chap. 4). For the representation of the Hamiltonian and the wave function, a Hermite polynomial DVR scheme [60] was used for all the degrees of freedom. The number of SPF and primitive basis functions used in the calculations are listed in Table 5.4. Test calculations with both larger primitive and SPF bases have been... 

It is well known from previous experimental [9-12] and theoretical works [13, 21, 24-26] that after excitation to the bright B2u t t ) state, pyrazine undergoes an ultrafast radiationless decay process in a few tens of femtoseconds. This process was directly observed recently by TRPES using sub-20 fs pulses [11, 12]. In this section, we present quantum dynamics simulations of the excited state dynamics of pyrazine triggered by a 14 fs sine-squared shaped laser pulse resonant with the transition from the ground to the B2u Tnr ) state. Specifically, the total Hamiltonian operator reads... 

---