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| Both sides previous revisionPrevious revision | |
| documentation:language_reference:functions:createresonantspectra [2017/09/26 21:38] – Maurits W. Haverkort | documentation:language_reference:functions:createresonantspectra [2022/05/18 17:01] (current) – Corrected NTri1/2 standard values. Yi Lu |
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| * ψ : Wavefunction | * ψ : Wavefunction |
| * Possible options are: | * Possible options are: |
| * "NTri1" Positive integer specifying the number of states in the Krylov basis of O1. (Standard value 200) | * "NTri1" Positive integer specifying the number of states in the Krylov basis of O1. (Standard value 100) |
| * "NTri2" Positive integer specifying the number of states in the Krylov basis of O2. (Standard value 200) | * "NTri2" Positive integer specifying the number of states in the Krylov basis of O2. (Standard value 100) |
| * "epsilon" Positive real defining the smallest absolute value considered different than zero. (Standard value 1.49E-8) | * "epsilon" Positive real defining the smallest absolute value considered different than zero. (Standard value 1.49E-8) |
| * "restrictions1" A list of restrictions defining restrictions on configurations and occupations included for O1 . Allows one to do restricted active space calculations. Note that the action of O3 and O4 are not restricted and all excitations they can make are included. | * "restrictions1" A list of restrictions defining restrictions on configurations and occupations included for O1 . Allows one to do restricted active space calculations. Note that the action of O3 and O4 are not restricted and all excitations they can make are included. |
