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

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