---
_id: '1618989'
abstract:
- lang: eng
text: The present review provides comprehensive information on finite nuclear charge
density distribution models, not only for the purpose of quantum chemical electronic
structure calculations for atoms and molecules, but also for other fields of atomic
and molecular physics, A general discussion of the electrostatic behaviour of
nuclear charge density distributions, spherical ones and non-spherical ones, is
given. A large and reasonably complete set of spherical finite nucleus models,
covering all models widely used in atomic and nuclear physics, is discussed in
detail. Analytic expressions are given for charge density distributions, for important
radial expectation values, and for their corresponding electrostatic potentials;
these include new material not found in the literature. Thus, the necessary prerequisites
for the use of finite nucleus models which are more realistic than the simple,
frequently considered models (e.g., the 'homogeneous', 'Gaussian', and Fermi models)
are fulfilled. The use of finite nucleus models in standard quantum chemical electronic
structure programs is briefly reviewed. In order to detect differences between
physical properties obtained with various finite nucleus models. six standardized
models were selected to study and compare energy shifts (non-relativistic and
relativistic) in hydrogen-like atoms. It is shown that within this set a clear
differentiation of models can be made, not only from the point of View of total
energy shifts but also from the point of view of energy differences and in fact
even for rather low nuclear charge numbers. This could be important for future
experimental as well as theoretical work on hydrogen-like atoms. (C) 2000 Elsevier
Science B.V. All rights reserved.
accept: '1'
article_type: review
author:
- autoren_ansetzung:
- Andrae, Dirk
- Andrae
- Dirk Andrae
- Andrae, D
- Andrae, D.
- D Andrae
- D. Andrae
first_name: Dirk
full_name: Andrae, Dirk
id: '20327'
last_name: Andrae
citation:
ama: Andrae D. Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS*. 2000;336(6):413-525.
angewandte-chemie: D. Andrae, “Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules”, *PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS*, **2000**, *336*, 413-525.
apa: Andrae, D. (2000). Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS*, *336*(6), 413-525. doi:10.1016/S0370-1573(00)00007-7
apa_indent: Andrae,
D. (2000). Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS*, *336*(6), 413-525. doi:10.1016/S0370-1573(00)00007-7

aps: ' D. Andrae, Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules, PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS **336**, 413 (2000).'
bio1: 'Andrae D (2000)

Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules.

PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS 336(6): 413-525.'
chicago: 'Andrae,
Dirk. 2000. “Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules”. *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS* 336 (6): 413-525.

'
default: 'Andrae D (2000)

*PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS*
336(6): 413-525.'
dgps: Andrae,
D. (2000). Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS*, *336*(6), 413-525. ELSEVIER SCIENCE BV. doi:10.1016/S0370-1573(00)00007-7.

frontiers: Andrae, D. (2000). Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS* 336, 413-525.
harvard1: Andrae, D., 2000. Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules. *PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS*, 336(6), p 413-525.
ieee: ' D. Andrae, “Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules”, *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS*, vol. 336, 2000, pp. 413-525.'
lncs: ' Andrae, D.: Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS. 336, 413-525 (2000).'
mla: 'Andrae, Dirk. “Finite nuclear charge density distributions in electronic structure
calculations for atoms and molecules”. *PHYSICS REPORTS-REVIEW SECTION OF PHYSICS
LETTERS* 336.6 (2000): 413-525.'
wels: 'Andrae, D. (2000): Finite nuclear charge density distributions in electronic
structure calculations for atoms and molecules *PHYSICS REPORTS-REVIEW SECTION
OF PHYSICS LETTERS*,336:(6): 413-525.'
date_created: 2010-04-28T13:03:58Z
date_submitted: 2010-12-07T16:48:27Z
date_updated: 2018-07-24T12:57:46Z
department:
- _id: '17982'
doi: 10.1016/S0370-1573(00)00007-7
external_id:
isi:
- '000089394300001'
first_author: Andrae, Dirk
id: '1618989'
intvolume: ' 336'
isi: '1'
issue: '6'
keyword:
- nuclear charge density distribution models
- electronic structure of atoms and molecules
- hydrogen-like atoms
- electrostatic potentials
language:
- iso: eng
page: 413-525
publication: PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
publication_identifier:
issn:
- 0370-1573
publication_status: published
publisher: ELSEVIER SCIENCE BV
quality_controlled: '1'
status: public
title: Finite nuclear charge density distributions in electronic structure calculations
for atoms and molecules
type: journal_article
volume: '336'
year: '2000'
...