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DFT calculations
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The General Options Menu
Contents
Index
Important commands
Subsections
DFT calculations
RI-
J
calculations
MARI-
J
option
Multiple auxiliary basis sets
RI in SCF calculations
Optimization to minima and transition structures using S
TATPT
Excited states, frequency-dependent properties, and stability analysis
MP2 and RI-MP2
CC2 calculations
2nd analytical derivatives
TURBOMOLE