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Gauge-invariant/including atomic orbital properties

Whereas current computational techniques based on gauge-including atomic orbitals meet the requirement of translational invariance of calculated magnetic properties, they do not necessarily guarantee current/charge conservation. On the other hand, CTOCD schemes account for the fundamental identity between these constraints, which are expressed by the same quantum mechanical sum rules. [Pg.115]


See other pages where Gauge-invariant/including atomic orbital properties is mentioned: [Pg.705]    [Pg.463]    [Pg.18]    [Pg.67]    [Pg.15]    [Pg.151]    [Pg.723]    [Pg.109]    [Pg.108]    [Pg.215]    [Pg.668]    [Pg.2503]   
See also in sourсe #XX -- [ Pg.200 ]

See also in sourсe #XX -- [ Pg.200 ]




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Atomic property

Gauge Including/Invariant Atomic Orbitals

Gauge invariance

Gauge invariant

Gauge-included atomic orbitals

Gauge-including atomic orbital

Gauge-invariant atomic orbital

Gauge-invariant/including atomic orbital

Invariance properties

Invariant properties

Orbital gauge-including

Orbital invariance

Orbital properties

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