Journal article
Development of a new quantum trajectory molecular dynamics framework
- Abstract:
-
An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalised Ewald summation is constructed for the wave packet models accounting for long-range Coulomb interactions and fermionic effects are approximated by purpose-built Pauli potentials, self-consistent with the wave packets used. We demonstrate its numerical implementation with good parallel support and close to linear scaling in particle number, ...
Expand abstract
- Publication status:
- Accepted
- Peer review status:
- Peer reviewed
Actions
Authors
Funding
Bibliographic Details
- Publisher:
- Royal Society Publisher's website
- Journal:
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences Journal website
- Acceptance date:
- 2023-01-19
- EISSN:
-
1471-2962
- ISSN:
-
1364-503X
Item Description
- Language:
- English
- Keywords:
- Pubs id:
-
1324994
- Local pid:
- pubs:1324994
- Deposit date:
- 2023-01-23
Terms of use
- Notes:
- This is the accepted manuscript version of the article. The final version will be available online from a forthcoming edition of Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.
Metrics
If you are the owner of this record, you can report an update to it here: Report update to this record