Chemical reactivity dynamics within a quantum fluid density functional
framework
P. K. Chattaraj (

) --
Department of Chemistry,
Indian Institute of Technology,
Kharagpur - 721302,
India.
Dynamics of chemical reactivity parameters like electronegativity, hardness,
polarizability, electrophilicity index etc. has been
studied by solving a generalized nonlinear Schrodinger equation
for typical time - dependent problems like ion - atom collisions
and atom - field interactions. Dynamical variants of popular
electronic structure principles like electronegativity
equalization principle, HSAB principle,maximum hardness
principle and minimum polarizability principle are now
understood better.