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- Atomic number [r]: The number of protons in the nucleus of a single atom of a chemical element. [e]
- Born-Oppenheimer approximation [r]: A technique in quantum mechanics in which the kinetic energies of nuclei and electrons are calculated separately. [e]
- Eckart conditions [r]: Equations describing the conditions under which the vibrations of molecules can be separated from molecular rotations and translations [e]
- GF method [r]: Method to compute the normal coordinates of a vibrating molecule. [e]
- Intermolecular forces [r]: Non-covalent forces between atoms and molecules; often synonymous with Van der Waals forces. [e]
- Molecular orbital theory [r]: Deals with definition and computation of molecular orbitals. [e]
- Quantum chemistry [r]: A branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. [e]
- Schrödinger equation [r]: A differential equation of quantum mechanics, describing the spatial and temporal behavior of wave functions. [e]
- Self-adjoint operator [r]: Linear operator which is identical with its adjoint operator. [e]
- Wigner D-matrix [r]: matrix in an irreducible representation of the groups SU(2) and SO(3); quantum mechanical symmetric top eigenfunctions. [e]
- Rigid rotor [r]: A 3-dimensional rigid object rotating around its center of mass. [e]
- Orbital-angular momentum [r]: Conserved property of quantum mechanical system with full rotation symmetry; cross product of position and momentum. [e]
- Clebsch-Gordan coefficients [r]: appear in total angular momentum eigenstates when written in terms of angular momentum states of subsystems. [e]
- Quantization [r]: Replacement of a classical variable by a quantum mechanical operator; phenomenon that energy is discontinuous. [e]