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General notes for the
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DALTON Reference Manual
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The basis sets supplied
Contents
Index
Molecular wave functions,
SIRIUS
Subsections
General notes for the
SIRIUS
input reference manual
Main input groups in the **WAVE FUNCTIONS input module
**WAVE FUNCTIONS
*AUXILIARY INPUT
*CI INPUT
*CI VECTOR
*CONFIGURATION INPUT
*DFT INPUT
DFT functionals
Generic functionals
Combined functionals
*HAMILTONIAN
*MP2 INPUT
*NEVPT2 INPUT
*OPTIMIZATION
*ORBITAL INPUT
*POPULATION ANALYSIS
*PRINT LEVELS
*SCF INPUT
*SOLVENT
*STEP CONTROL
*TRANSFORMATION
**MOLORB input module
Dalton Manual - Release 1.2.1
