New strategies in TDDFT propagation
Registered by
Pablo Lopez
on 2019-01-29
Tests on previous TDED runs have suggested that total energy preservation can be improved. Here we insert a modified extrapolation scheme and we propose a two-step propagation algorithm.
Blueprint information
- Status:
- Started
- Approver:
- Daniel Sanchez-Portal
- Priority:
- Undefined
- Drafter:
- Pablo Lopez
- Direction:
- Needs approval
- Assignee:
- Pablo Lopez
- Definition:
- Discussion
- Series goal:
- None
- Implementation:
-
Started
- Milestone target:
- None
- Started by
- Pablo Lopez on 2019-01-29
- Completed by
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