Computational Spectroscopy of Polyatomic Molecules
portes grátis
Computational Spectroscopy of Polyatomic Molecules
Yurchenko, Sergey
Taylor & Francis Ltd
10/2024
194
Mole
9781032433721
Pré-lançamento - envio 15 a 20 dias após a sua edição
Descrição não disponível.
1. Introduction. 2. Coordinates Choice. 3. KEO: Coordinate Transformation. 4. KEO: Triatomic Molecules. 5. Basis Sets. 6. Symmetry-adapted Basis Sets. 7. Applications. Bibliography. Index.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
Rotational-vibrational Hamiltonian;Finite Basis set Representations;FBR;Discrete Variable Representations;DVR;Variational methods;Valence Coordinates;Analytic Algebra;Polyatomic Molecule;Molecular Frame;Triatomic Molecules;Computer Algebra Program;Rectilinear Coordinates;Dipole Moment Components;Computational Pipeline;Line Strength;Nuclear Spin;Coriolis Interaction;Nuclear Coordinates;Vibrational Coordinates;Dipole Moment;Potential Energy Functions;Irreducible Spherical Tensor;Potential Parameters;Hellmann Feynman Theorem;Cgs Unit;Ortho-para Conversions;Vibrational Degrees;Specific Energy Values;Linear Geometries;Linear Configuration
1. Introduction. 2. Coordinates Choice. 3. KEO: Coordinate Transformation. 4. KEO: Triatomic Molecules. 5. Basis Sets. 6. Symmetry-adapted Basis Sets. 7. Applications. Bibliography. Index.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
Rotational-vibrational Hamiltonian;Finite Basis set Representations;FBR;Discrete Variable Representations;DVR;Variational methods;Valence Coordinates;Analytic Algebra;Polyatomic Molecule;Molecular Frame;Triatomic Molecules;Computer Algebra Program;Rectilinear Coordinates;Dipole Moment Components;Computational Pipeline;Line Strength;Nuclear Spin;Coriolis Interaction;Nuclear Coordinates;Vibrational Coordinates;Dipole Moment;Potential Energy Functions;Irreducible Spherical Tensor;Potential Parameters;Hellmann Feynman Theorem;Cgs Unit;Ortho-para Conversions;Vibrational Degrees;Specific Energy Values;Linear Geometries;Linear Configuration
