Saved in:
| Main Author: | |
|---|---|
| Format: | Preprint |
| Published: |
2018
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/1804.00252 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866912752009740288 |
|---|---|
| author | Akin-Ojo, Omololu |
| author_facet | Akin-Ojo, Omololu |
| contents | In orbital-free density functional theory (OFDFT), an equation exists for $ψ= \sqrt n$, the square root of the ground state electron density $n$. We show that $ψ$ cannot be expanded as a linear combination of elements of a complete set of basis functions except in the case of one or two electron systems. This is unlike the case for the ground state of a system of identical bosons in which the square root of the ground state bosonic density can have an expansion as a linear combination of elements of a complete set of basis functions. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1804_00252 |
| institution | arXiv |
| publishDate | 2018 |
| record_format | arxiv |
| spellingShingle | The impossibility of expanding the square root of the electron density as a linear combination of elements of a complete set of basis functions Akin-Ojo, Omololu Chemical Physics In orbital-free density functional theory (OFDFT), an equation exists for $ψ= \sqrt n$, the square root of the ground state electron density $n$. We show that $ψ$ cannot be expanded as a linear combination of elements of a complete set of basis functions except in the case of one or two electron systems. This is unlike the case for the ground state of a system of identical bosons in which the square root of the ground state bosonic density can have an expansion as a linear combination of elements of a complete set of basis functions. |
| title | The impossibility of expanding the square root of the electron density as a linear combination of elements of a complete set of basis functions |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/1804.00252 |