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Gauge-including atomic orbital density functional theory, electron

Schreckenbach, G., Ziegler, T., 1997b, Calculation of the g-Tensor of Electron Paramagnetic Resonance Spectroscopy Using Gauge-Including Atomic Orbitals and Density Functional Theory , J. Phys. Chem. A, 101, 3388. [Pg.300]

Schreckenbach G, Ziegler T (1997) Calculation of the G-tensor of electron paramagnetic resonance spectroscopy using gauge-including atomic orbitals and density functional theory. J Phys Chem A 101 3388-3399... [Pg.96]


See other pages where Gauge-including atomic orbital density functional theory, electron is mentioned: [Pg.45]    [Pg.52]    [Pg.67]    [Pg.7]    [Pg.104]    [Pg.65]   


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Atom densities

Atomic density

Atomic electron density

Atomic functions

Atomic orbital theory

Atomic orbitals electron density

Atomic orbitals functions

Atomic orbitals/theory

Atomic theory

Atoms theory

Density functional theory electrons

Density gauges

Electron density function

Electron density functionals

Electron functionalization

Electron orbitals

Electron, orbiting

Electronic density function

Gauge function

Gauge theory

Gauge-included atomic orbitals

Gauge-including atomic orbital

Orbital electrons

Orbital functionals

Orbital gauge-including

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