mirror of https://github.com/abinit/abinit.git
34 lines
1.1 KiB
Markdown
34 lines
1.1 KiB
Markdown
---
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description: How to perform time-dependent density-functional theory calculations of neutral excitation energies
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authors: FJ
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---
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<!--- This is the source file for this topics. Can be edited. -->
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This page gives hints on how to perform time-dependent density-functional theory calculations of neutral
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excitation energies with the ABINIT package.
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## Introduction
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For finite systems (atoms and molecules), excited states can be computed
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within TDDFT (Casida approach - only norm-conserving pseudopotentials). See
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the explanations given in the [[tutorial:tddft]] tutorial of tutorial. The
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[[iscf]] input variable must be set to -1.
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In the non-spin-polarized case, spin-singlet as well as spin-triplet
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excitations are computed. Spin-polarized case is also available.
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## Related Input Variables
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{{ related_variables }}
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## Selected Input Files
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{{ selected_input_files }}
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## Tutorials
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* [[tutorial:tddft|The tutorial on TDDFT]] deals with the computation of the excitation spectrum of finite systems, thanks to the Time-Dependent Density Functional Theory approach, in the Cassida formalism.
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