Three point-like massive particles/atoms are connected with three springs forming an equilateral triangle replicating a prototype triatomic molecule. The triangle is inscribed within a stationary frame via three addit...Three point-like massive particles/atoms are connected with three springs forming an equilateral triangle replicating a prototype triatomic molecule. The triangle is inscribed within a stationary frame via three additional springs confining the vibrations of the molecule to a 2D space. It is the objective of this research flavored investigation to seek the normal vibrational modes for this three-body six-spring structure. The entire analysis including symbolic, numeric, and graphics is carried out by adapting a suitable Computer Algebra System (CAS), Mathematica. For a comprehensive understanding, the frequency of the normal mode is used for a visual animation;an actual mechanical replica of the “molecule” for the scenario on hand is fabricated.展开更多
Presents the ab initio calculations performed for different symmetry groups of neutral molecular N 2 dimer, and the calculation of ground state and low lying singlet excited states for each symmetry group and conclude...Presents the ab initio calculations performed for different symmetry groups of neutral molecular N 2 dimer, and the calculation of ground state and low lying singlet excited states for each symmetry group and concludes from the results that there is an electric dipole transition between X 1A g and a 1B 3u (singlet singlet) excited states belonging to D 2h group symmetry, and discusses the vibrational energy levels and emission spectra calculates for this transition.展开更多
文摘Three point-like massive particles/atoms are connected with three springs forming an equilateral triangle replicating a prototype triatomic molecule. The triangle is inscribed within a stationary frame via three additional springs confining the vibrations of the molecule to a 2D space. It is the objective of this research flavored investigation to seek the normal vibrational modes for this three-body six-spring structure. The entire analysis including symbolic, numeric, and graphics is carried out by adapting a suitable Computer Algebra System (CAS), Mathematica. For a comprehensive understanding, the frequency of the normal mode is used for a visual animation;an actual mechanical replica of the “molecule” for the scenario on hand is fabricated.
文摘Presents the ab initio calculations performed for different symmetry groups of neutral molecular N 2 dimer, and the calculation of ground state and low lying singlet excited states for each symmetry group and concludes from the results that there is an electric dipole transition between X 1A g and a 1B 3u (singlet singlet) excited states belonging to D 2h group symmetry, and discusses the vibrational energy levels and emission spectra calculates for this transition.
