Direct calculation of ground-state electronic densities and properties of noble gas atoms through a single time-dependent hydrodynamical equation

Ground-state electronic densities and properties of noble gas atoms (He, Ne, Ar, Kr and Xe) have been calculated through a single time-dependent quantum fluid dynamical equation of motion. The equation has been transformed through imaginary time into a diffusion equation which is then numerically solved in order to reach a global minimum. The present results compare favourably with other available values

Optimal Control of Quantum Dynamics : A New Theoretical Approach

A New theoretical formalism for the optimal quantum control has been presented. The approach stems from the consideration of describing the time-dependent quantum system in terms of the real physical observables, viz., the probability density rho(x,t) and the quantum current j(x,t) which is well documented in the Bohm's hydrodynamical formulation of quantum mechanics. The approach has been applied for manipulating the vibrational motion of HBr in its ground electronic state under an external electric field.Comment: 4 figure

Coherent Optimal Control of Multiphoton Molecular Excitation

We give a framework for molecular multiphoton excitation process induced by an optimally designed electric field. The molecule is initially prepared in a coherent superposition state of two of its eigenfunctions. The relative phase of the two superposed eigenfunctions has been shown to control the optimally designed electric field which triggers the multiphoton excitation in the molecule. This brings forth flexibility in desiging the optimal field in the laboratory by suitably tuning the molecular phase and hence by choosing the most favorable interfering routes that the system follows to reach the target. We follow the quantum fluid dynamical formulation for desiging the electric field with application to HBr molecule.Comment: 5 figure

Coherent Control of Atomic Beam Diffraction by Standing Light

Quantum interference is shown to deliver a means of regulating the diffraction pattern of a thermal atomic beam interacting with two standing wave electric fields. Parameters have been identified to enhance the diffraction probability of one momentum component over the others, with specific application to Rb atoms.Comment: 5 figure

Coherently Controlled Nanoscale Molecular Deposition

Quantum interference effects are shown to provide a means of controlling and enhancing the focusing a collimated neutral molecular beam onto a surface. The nature of the aperiodic pattern formed can be altered by varying laser field characteristics and the system geometry.Comment: 13 pages (inculding 4 figures), LaTeX (Phys. Rev. Lett., 2000, in Press

Optimal Control of Molecular Motion Expressed Through Quantum Fluid Dynamics

A quantum fluid dynamic control formulation is presented for optimally manipulating atomic and molecular systems. In quantum fluid dynamic the control quantum system is expressed in terms of the probability density and the quantum current. This choice of variables is motivated by the generally expected slowly varying spatial-temporal dependence of the fluid dynamical variables. The quantum fluid dynamic approach is illustrated for manipulation of the ground electronic state dynamics of HCl induced by an external electric field.Comment: 18 pages, latex, 3 figure