One-Electron Properties and Hfo-6G Basis Set

Igor Novak

doi:10.1524/zpch.1990.167.Part_2.251

One-Electron Properties and Hfo-6G Basis Set

Igor Novak

Agricultural, Environmental and Veterinary Sciences

Research output: Contribution to journal › Article › peer-review

Abstract

Electric dipole and quadrupole moments have been calculated with ab initio methods and the recently introduced HFO-6G basis set. The results obtained are evaluated by comparison with experimental data and with moments obtained with extended basis sets.

Original language	English
Pages (from-to)	251-254
Number of pages	4
Journal	Zeitschrift fur Physikalische Chemie
Volume	167
DOIs	https://doi.org/10.1524/zpch.1990.167.Part_2.251
Publication status	Published - 1990

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10.1524/zpch.1990.167.Part_2.251

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title = "One-Electron Properties and Hfo-6G Basis Set",

abstract = "Electric dipole and quadrupole moments have been calculated with ab initio methods and the recently introduced HFO-6G basis set. The results obtained are evaluated by comparison with experimental data and with moments obtained with extended basis sets.",

keywords = "Dipole moment, HFO-6G basis set, Quadrupole moment",

author = "Igor Novak",

year = "1990",

doi = "10.1524/zpch.1990.167.Part_2.251",

language = "English",

volume = "167",

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AU - Novak, Igor

PY - 1990

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KW - Dipole moment

KW - HFO-6G basis set

KW - Quadrupole moment

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JO - Zeitschrift fur Physikalische Chemie

JF - Zeitschrift fur Physikalische Chemie

ER -

One-Electron Properties and Hfo-6G Basis Set

Abstract

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