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**Describe the bug 1 **
`xTB` 6.3.0 version claims to support PBC calculation with `GFN1`
However, under version 6.4.0 (conda installation), I used
`xtb --gfn 1 molcrystal.vasp`
to calculate the …
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**First Pass**
- [x] Test Dense vs Sparse eigensolvers
- [x] Use Jamie's sparse Hamiltonian creation
- [x] Get ground state as vector
- [x] Implement basic circuit to state evaluation
- [x] Imple…
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As discussed, @chiyahn will be the "project manager" on helping to get the expositional notebook done that we talked about today and @ajozefiak can implement stuff as you guys work through stuff. A …
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Dear TRIQS developpers,
I am trying to use CT-HYB (version 3.1) to do DMFT calculation on Ba2IrO4 including spin-orbit coupling.
Due to the sign problem (~0.6), the statistics on G(tau) is not…
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### Feature details
When running
```python
import pennylane as qml
h2_dataset = qml.data.load("qchem", molname="H2", bondlength=0.742, basis="STO-3G")
h2 = h2_dataset[0]
H, qubits = h2.hamilto…
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https://arxiv.org/pdf/1312.5638.pdf
Also, see this physics one (a Hamiltonian version?): https://arxiv.org/pdf/1710.11085.pdf
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First of all: Thanks a lot for porting this package to Python. It's greatly appreciated.
I'm using the R version quite a lot, often on larger data sets. Mostly, I match a lot of observations in paral…
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## About the author
I'm a postdoc researcher in theoretical high energy physics. I work mostly on heavy-ion physics, which involves studies of quantum chromodynamics (QCD) in a thermal setting.…
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OK there are two difference scenarios:
- Calculating the entropy and enthalpy as a function of T (or as a function of parameters).
This is straightforward, as there is already a function in py…
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### Expected behavior
Returning multiple projector expectation values in a QNode should work.
```
import pennylane as qml
dev = qml.device("default.qubit", wires=1)
@qml.qnode(dev)
def fun…