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1General contraction of Gaussian basis sets

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“General contraction of Gaussian basis sets” Metadata:

  • Title: ➤  General contraction of Gaussian basis sets
  • Author:
  • Language: English
  • Publisher: ➤  NASA Ames Research Center - National Technical Information Service, distributor
  • Publish Date:
  • Publish Location: ➤  Springfield, Va - [Moffett Field, Calif

“General contraction of Gaussian basis sets” Subjects and Themes:

Edition Identifiers:

Access and General Info:

  • First Year Published: 1989
  • Is Full Text Available: No
  • Is The Book Public: No
  • Access Status: No_ebook

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    Atomic orbital

    (magnetic quantum number). The orbitals with a well-defined magnetic quantum number are generally complex-valued. Real-valued orbitals can be formed as linear

    Electron orbital

    molecules Orbital hybridization, a combining of atomic orbitals to form an equal number of hybrid orbitals when forming certain molecules This disambiguation

    Electron configuration

    the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. For

    Molecular orbital

    bond, the electrons' locations are determined by the molecule as a whole, so the atomic orbitals combine to form molecular orbitals. The electrons from the

    Valence electron

    valence shell consists of the ns and np orbitals in the outermost electron shell. For transition metals the orbitals of the incomplete (n−1)d subshell are

    Pi bond

    axis. One common form of this sort of bonding involves p orbitals themselves, though d orbitals also engage in pi bonding. This latter mode forms part of

    Hydrogen atom

    in 37000 for the electron. Since the electron's wavelength is determined by its momentum, orbitals containing higher speed electrons show contraction

    Gaussian orbital

    the representation of electron orbitals in molecules and numerous properties that depend on these. The use of Gaussian orbitals in electronic structure

    Quantum number

    contains only one orbital, and therefore the mℓ of an electron in an s orbital will always be 0. The p subshell (ℓ = 1) contains three orbitals, so the mℓ of

    Molecular orbital theory

    approximating the states of bonded electrons – the molecular orbitals – as linear combinations of atomic orbitals (LCAO). These approximations are made