Local Orbitals in Quantum Chemistry

نویسندگان

چکیده

The concept and use of local orbitals are deeply connected to the history Quantum Chemistry. Indeed, most types bonds explained through bonding antibonding orbitals. We describe here main procedures that can be used obtain localized After a brief description underlying formalism, different algorithms compared application simple systems. It is possible, in this way, emphasize advantages inconveniences approaches.

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ژورنال

عنوان ژورنال: Lecture notes in chemistry

سال: 2021

ISSN: ['2192-6603', '0342-4901']

DOI: https://doi.org/10.1007/978-3-030-67262-1_3