Spectroscopy of low lying transitions of He confined in a fullerene cage

• Published in: The European physical journal. D, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2016-10, Vol.70 (10), p.1-8, Article 196
• Main Authors: Chaudhuri, Supriya K., Mukherjee, Prasanta K., Fricke, Burkhard
• Format: Article
• Language: English
• Subjects: Applications of Nonlinear Dynamics and Chaos Theory; Atomic; Cages; Fullerenes; Helium; Ionization potentials; Molecular; Optical and Plasma Physics; Oscillator strengths; Physical Chemistry; Physics; Physics and Astronomy; Properties (attributes); Quantum Information Technology; Quantum Physics; Regular Article; Spectroscopy/Spectrometry; Spintronics; Transition probabilities; Wave functions
• ISSN: 1434-6060; 1434-6079
• DOI: 10.1140/epjd/e2016-70346-7

Using time dependent coupled Hartree-Fock(TDCHF) theory, we estimate structural properties such as total energy, ionisation potential, static and dynamic polarizabilities, oscillator strengths and transition probabilities for the first three dipolar excitations 1 s 2 : 1 S e → 1 snp : 1 P o ( n = 2 , 3 , 4) and quadrupolar excitations 1 s 2 : 1 S e → 1 snd : 1 D e ( n = 3 , 4 , 5) of a helium atom placed at the centre of a fullerene cage. We estimate these structural properties using the fullerene cage potential based on experimental findings, including both neutral and charged fullerene potentials. Systematics have been observed with respect to the nature of the charge on fullerene compared to neutral species. We highlight interesting behavior of the excited state wavefunctions for the central atom, leading to altered behavioral patterns of the relevant properties. Graphical abstract