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Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. [2]: 1.1 It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot.
This was the first application of quantum mechanics to the diatomic hydrogen molecule, and thus to the phenomenon of the chemical bond. [3] However, prior to this a critical conceptual framework was provided by Gilbert N. Lewis in his 1916 paper The Atom and the Molecule, [4] wherein Lewis developed the first working model of valence electrons.
In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. [1] Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a ...
Gas in a harmonic trap – Quantum mechanical model; Creation and annihilation operators – Operators useful in quantum mechanics; Coherent state – Specific quantum state of a quantum harmonic oscillator; Morse potential – Model for the potential energy of a diatomic molecule; Bertrand's theorem – Physics theorem; Mehler kernel
In quantum chemistry, the quantum theory of atoms in molecules (QTAIM), sometimes referred to as atoms in molecules (AIM), is a model of molecular and condensed matter electronic systems (such as crystals) in which the principal objects of molecular structure - atoms and bonds - are natural expressions of a system's observable electron density distribution function.
The linear rigid rotor model can be used in quantum mechanics to predict the rotational energy of a diatomic molecule. The rotational energy depends on the moment of inertia for the system, . In the center of mass reference frame, the moment of inertia is equal to: =
The hybrid QM/MM (quantum mechanics/molecular mechanics) approach is a molecular simulation method that combines the strengths of ab initio QM calculations (accuracy) and MM (speed) approaches, thus allowing for the study of chemical processes in solution and in proteins.
Quantum mechanics is the study of matter and its interactions with energy on the scale of atomic and subatomic particles.By contrast, classical physics explains matter and energy only on a scale familiar to human experience, including the behavior of astronomical bodies such as the moon.