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documentation:language_reference:functions:operatorsettrace [2018/09/25 13:40] – created Simon Heinze | documentation:language_reference:functions:operatorsettrace [2018/09/26 14:40] – Added Code Example and corrected some statements Simon Heinze | ||
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### | ### | ||
- | alligned paragraph text | + | OperatorSetTrace($O$, |
+ | |||
+ | After the operation the operator has the property | ||
+ | \begin{equation*} | ||
+ | \sum_{j=\{i_1, | ||
+ | \frac{O_{jj}}{n} | ||
+ | = | ||
+ | t | ||
+ | \hspace{0.3cm} | ||
+ | , | ||
+ | \end{equation*} | ||
+ | where $O_{jj}$ are the prefactors of the diagonal quadratic terms of the operator, | ||
+ | \begin{equation*} | ||
+ | O | ||
+ | = | ||
+ | \sum_{i, | ||
+ | O_{ij} a_i^\dagger a_j^{\phantom{\dagger}} | ||
+ | + | ||
+ | ... | ||
+ | \hspace{0.3cm} | ||
+ | . | ||
+ | \end{equation*} | ||
### | ### | ||
===== Input ===== | ===== Input ===== | ||
- | * bla : Integer | + | * $O$ : Operator |
- | * bla2 : Real | + | * $t$ : New value of the trace average (Default 0) |
+ | * {$i_1, | ||
===== Output ===== | ===== Output ===== | ||
- | * bla : real | + | * $O^\prime$ |
===== Example ===== | ===== Example ===== | ||
- | ### | ||
- | description text | ||
- | ### | ||
==== Input ==== | ==== Input ==== | ||
<code Quanty Example.Quanty> | <code Quanty Example.Quanty> | ||
- | -- some example code | + | Orbitals = {" |
+ | Indices, NF = CreateAtomicIndicesDict(Orbitals) | ||
+ | e1s = 1 | ||
+ | e2s = 2 | ||
+ | F0ss = 0.5 | ||
+ | O = NewOperator(" | ||
+ | + NewOperator(" | ||
+ | + NewOperator(" | ||
+ | + NewOperator(" | ||
+ | O.Name = " | ||
+ | print(O) | ||
+ | |||
+ | print(" | ||
+ | OperatorSetTrace(O) | ||
+ | print(O) | ||
+ | |||
+ | print(" | ||
+ | OperatorSetTrace(O, | ||
+ | print(O) | ||
+ | |||
+ | print(" | ||
+ | OperatorSetTrace(O, | ||
+ | OperatorSetTrace(O, | ||
+ | print(O) | ||
</ | </ | ||
==== Result ==== | ==== Result ==== | ||
<file Quanty_Output> | <file Quanty_Output> | ||
- | text produced as output | + | Operator: Operator |
+ | QComplex | ||
+ | MaxLength | ||
+ | NFermionic modes = 4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) | ||
+ | NBosonic modes | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 0 A 0 | 1.000000000000000E+00 | ||
+ | C 1 A 1 | 1.000000000000000E+00 | ||
+ | C 2 A 2 | 2.000000000000000E+00 | ||
+ | C 3 A 3 | 2.000000000000000E+00 | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 1 C 0 A 1 A 0 | -5.000000000000000E-01 | ||
+ | C 3 C 2 A 3 A 2 | -5.000000000000000E-01 | ||
+ | |||
+ | |||
+ | Set Operator trace average to 0 | ||
+ | |||
+ | Operator: Operator | ||
+ | QComplex | ||
+ | MaxLength | ||
+ | NFermionic modes = 4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) | ||
+ | NBosonic modes | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 0 A 0 | -5.000000000000000E-01 | ||
+ | C 1 A 1 | -5.000000000000000E-01 | ||
+ | C 2 A 2 | 5.000000000000000E-01 | ||
+ | C 3 A 3 | 5.000000000000000E-01 | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 1 C 0 A 1 A 0 | -5.000000000000000E-01 | ||
+ | C 3 C 2 A 3 A 2 | -5.000000000000000E-01 | ||
+ | |||
+ | |||
+ | Set Operator trace average to 2 | ||
+ | |||
+ | Operator: Operator | ||
+ | QComplex | ||
+ | MaxLength | ||
+ | NFermionic modes = 4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) | ||
+ | NBosonic modes | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 0 A 0 | 1.500000000000000E+00 | ||
+ | C 1 A 1 | 1.500000000000000E+00 | ||
+ | C 2 A 2 | 2.500000000000000E+00 | ||
+ | C 3 A 3 | 2.500000000000000E+00 | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 1 C 0 A 1 A 0 | -5.000000000000000E-01 | ||
+ | C 3 C 2 A 3 A 2 | -5.000000000000000E-01 | ||
+ | |||
+ | |||
+ | Set trace average of 1s orbitals to -1, and trace average of 2s orbitals to 15 | ||
+ | |||
+ | Operator: Operator | ||
+ | QComplex | ||
+ | MaxLength | ||
+ | NFermionic modes = 4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) | ||
+ | NBosonic modes | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 0 A 0 | -1.000000000000000E+00 | ||
+ | C 1 A 1 | -1.000000000000000E+00 | ||
+ | C 2 A 2 | 1.500000000000000E+01 | ||
+ | C 3 A 3 | 1.500000000000000E+01 | ||
+ | |||
+ | Operator of Length | ||
+ | QComplex | ||
+ | N | ||
+ | C 1 C 0 A 1 A 0 | -5.000000000000000E-01 | ||
+ | C 3 C 2 A 3 A 2 | -5.000000000000000E-01 | ||
</ | </ | ||