Premium
Role of initial orbital alignment in H + +K(4 p ) collisions at low energies
Author(s) -
Saha Bidhan C.,
Kumar Anil
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1536
Subject(s) - excited state , atomic physics , semiclassical physics , atomic orbital , chemistry , molecular orbital , adiabatic process , atom (system on chip) , excitation , formalism (music) , physics , linear combination of atomic orbitals , electron , quantum , molecule , quantum mechanics , art , musical , computer science , visual arts , embedded system
We report calculations of state‐selective electron capture by H + from K(4 p ) in Σ and Π alignments, in the 0.01–1 keV/amu energy range. We use, in the impact parameter formalism, the semiclassical close‐coupling method with molecular‐state expansion embodying electronic translation factors. Molecular states and adiabatic states are obtained from standard one‐electron LCAO calculations using Slater‐type orbitals and pseudopotentials for the e − –K core interactions. In addition to the state‐selective capture cross sections, we also have calculated the K(5 s ), K(3 d ), and K(5 p ) excitation cross sections. We report the anisotropy parameters A( n ) for n =2 and n =3 states of the formed H atom as well as A(ex) for populating the excited states of the K atom for the first time. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001