Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

Research output: Contribution to journalJournal articlepeer-review

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Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations. / Avery, John Scales; Avery, James Emil; Aquilanti, Vincenzo; Caligiana, Andrea.

In: Advances in Quantum Chemistry, Vol. 47, 2004, p. 157-176.

Research output: Contribution to journalJournal articlepeer-review

Harvard

Avery, JS, Avery, JE, Aquilanti, V & Caligiana, A 2004, 'Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations', Advances in Quantum Chemistry, vol. 47, pp. 157-176. <https://www.sciencedirect.com/science/article/B7CSN-4D8MD3M-9/2/a99301aaef1860cbc44f2981bc3f9694>

APA

Avery, J. S., Avery, J. E., Aquilanti, V., & Caligiana, A. (2004). Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations. Advances in Quantum Chemistry, 47, 157-176. https://www.sciencedirect.com/science/article/B7CSN-4D8MD3M-9/2/a99301aaef1860cbc44f2981bc3f9694

Vancouver

Avery JS, Avery JE, Aquilanti V, Caligiana A. Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations. Advances in Quantum Chemistry. 2004;47:157-176.

Author

Avery, John Scales ; Avery, James Emil ; Aquilanti, Vincenzo ; Caligiana, Andrea. / Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations. In: Advances in Quantum Chemistry. 2004 ; Vol. 47. pp. 157-176.

Bibtex

@article{fff9b53075a911dcbee902004c4f4f50,
title = "Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations",
abstract = "The generalized Sturmian method for atomic andmolecular electronic structure calculations is a direct configurationinteraction method in which the configurations are chosen to beisoenergetic solutions of an approximate N-electron Schr{\"o}dingerequation with a weighted potential, $\beta_\nu V_0$. The weightingfactors $\beta_\nu$ are especially chosen so that all theconfigurations in the basis set correspond to the same energyregardless of their quantum numbers. In this paper, the generalizedSturmian method is used to calculate excited states, densities,polarizabilities, and natural orbitals of few-electron atoms and ions.",
keywords = "Faculty of Science, Sturm-baser, den generalisede Sturm-metode, atomspektre, elektront{\ae}thed, polarisabilitet, naturlige orbitaler, Sturmian bases, generalized Sturmian method, atomic spectra, electron density, polarizability, natural orbitals, configuration interaction, Sturmians",
author = "Avery, {John Scales} and Avery, {James Emil} and Vincenzo Aquilanti and Andrea Caligiana",
year = "2004",
language = "English",
volume = "47",
pages = "157--176",
journal = "Advances in Quantum Chemistry",
issn = "0065-3276",
publisher = "Academic Press",

}

RIS

TY - JOUR

T1 - Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

AU - Avery, John Scales

AU - Avery, James Emil

AU - Aquilanti, Vincenzo

AU - Caligiana, Andrea

PY - 2004

Y1 - 2004

N2 - The generalized Sturmian method for atomic andmolecular electronic structure calculations is a direct configurationinteraction method in which the configurations are chosen to beisoenergetic solutions of an approximate N-electron Schrödingerequation with a weighted potential, $\beta_\nu V_0$. The weightingfactors $\beta_\nu$ are especially chosen so that all theconfigurations in the basis set correspond to the same energyregardless of their quantum numbers. In this paper, the generalizedSturmian method is used to calculate excited states, densities,polarizabilities, and natural orbitals of few-electron atoms and ions.

AB - The generalized Sturmian method for atomic andmolecular electronic structure calculations is a direct configurationinteraction method in which the configurations are chosen to beisoenergetic solutions of an approximate N-electron Schrödingerequation with a weighted potential, $\beta_\nu V_0$. The weightingfactors $\beta_\nu$ are especially chosen so that all theconfigurations in the basis set correspond to the same energyregardless of their quantum numbers. In this paper, the generalizedSturmian method is used to calculate excited states, densities,polarizabilities, and natural orbitals of few-electron atoms and ions.

KW - Faculty of Science

KW - Sturm-baser

KW - den generalisede Sturm-metode

KW - atomspektre

KW - elektrontæthed

KW - polarisabilitet

KW - naturlige orbitaler

KW - Sturmian bases

KW - generalized Sturmian method

KW - atomic spectra

KW - electron density

KW - polarizability

KW - natural orbitals

KW - configuration interaction

KW - Sturmians

M3 - Journal article

VL - 47

SP - 157

EP - 176

JO - Advances in Quantum Chemistry

JF - Advances in Quantum Chemistry

SN - 0065-3276

ER -

ID: 1245394