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Source: The Open Library
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1General contraction of Gaussian basis sets
By Jan Almlof
“General contraction of Gaussian basis sets” Metadata:
- Title: ➤ General contraction of Gaussian basis sets
- Author: Jan Almlof
- Language: English
- Publisher: ➤ NASA Ames Research Center - National Technical Information Service, distributor
- Publish Date: 1989
- Publish Location: ➤ Springfield, Va - [Moffett Field, Calif
“General contraction of Gaussian basis sets” Subjects and Themes:
- Subjects: ➤ Configuration interaction - Atomic physics - Multipoles - Electron orbitals - Wave functions - Contraction
Edition Identifiers:
- The Open Library ID: OL17725291M
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