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  2. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    Transition electric dipole, magnetic dipole and electric quadrupole moments interactions result in optical rotation(OR), which can be described by both tensor components and chemical geometries. The in phase overlap of two molecular orbitals yield negative charge while depleting charge out of phase.

  3. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Atomic orbitals must also overlap within space. They cannot combine to form molecular orbitals if they are too far away from one another. Atomic orbitals must be at similar energy levels to combine as molecular orbitals. Because if the energy difference is great, when the molecular orbitals form, the change in energy becomes small.

  4. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    In chemical bonds, an orbital overlap is the concentration of orbitals on adjacent atoms in the same regions of space. Orbital overlap can lead to bond formation. The general principle for orbital overlap is that, the greater the greater the over between orbitals, the greater is the bond strength.

  5. Fidelity of quantum states - Wikipedia

    en.wikipedia.org/wiki/Fidelity_of_quantum_states

    The fidelity between two quantum states and , expressed as density matrices, is commonly defined as: [1] [2] (,) = (⁡).The square roots in this expression are well-defined because both and are positive semidefinite matrices, and the square root of a positive semidefinite matrix is defined via the spectral theorem.

  6. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    In hydrogen fluoride HF overlap between the H 1s and F 2s orbitals is allowed by symmetry but the difference in energy between the two atomic orbitals prevents them from interacting to create a molecular orbital. Overlap between the H 1s and F 2p z orbitals is also symmetry allowed, and these two atomic orbitals have a small energy separation ...

  7. Quantum computing - Wikipedia

    en.wikipedia.org/wiki/Quantum_computing

    Neuromorphic quantum computing (abbreviated as ‘n.quantum computing’) is an unconventional type of computing that uses neuromorphic computing to perform quantum operations. It was suggested that quantum algorithms, which are algorithms that run on a realistic model of quantum computation, can be computed equally efficiently with ...

  8. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    The electrons of a single, isolated atom occupy atomic orbitals with discrete energy levels. If two atoms come close enough so that their atomic orbitals overlap, the electrons can tunnel between the atoms. This tunneling splits the atomic orbitals into molecular orbitals with different energies. [2]: 117–122

  9. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    σ bond between two atoms: localization of electron density Two p-orbitals forming a π-bond. The overlapping atomic orbitals can differ. The two types of overlapping orbitals are sigma and pi. Sigma bonds occur when the orbitals of two shared electrons overlap head-to-head, with the electron density most concentrated between nuclei.