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Wiki Pages
How should I cite ACE Molecule
Input Variables
Reports
PAW technical report for memory and initialization time
Theoretical documents
PBC for cubic cell
TDHF and TDDFT with Hybrid functional
Tutorial
0. Installation
1.1 Dissociation of dihydrogen cation
1.2 Excited state of benzoquinone
1.3 Atomic Dipole Approximation (ADA) calculation
1.5 Using ASE to explore egg box effect
1.6 Configuration interaction singles and doubles (cisd) calculation
1.7 Piperazine solvation
1.8 TDDFT calculation with solvation effect
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