Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?

Genoni, Alessandro; Rezende dos Santos, Leonardo Humberto; Meyer, Benjamin; Macchi, Piero (2017). Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation? IUCrJ, 4(2), pp. 136-146. International Union of Crystallography 10.1107/S2052252516019217

[img] Text
yc5009.pdf - Published Version
Restricted to registered users only
Available under License Publisher holds Copyright.

Download (1MB)

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Rezende dos Santos, Leonardo Humberto, Macchi, Piero

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2052-2525

Publisher:

International Union of Crystallography

Funders:

[4] Swiss National Science Foundation

Projects:

[1210] Physical and chemical properties from the electron density distribution of materials

Language:

English

Submitter:

Piero Macchi

Date Deposited:

02 Aug 2017 09:07

Last Modified:

05 Dec 2022 15:05

Publisher DOI:

10.1107/S2052252516019217

BORIS DOI:

10.7892/boris.99492

URI:

https://boris.unibe.ch/id/eprint/99492

Actions (login required)

Edit item Edit item
Provide Feedback