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Hi,
Possibly a silly question (but hopefully not) - is it possible to use libmsym to generate symmetrized harmonics for a single-point type expansion^? I think this should be very similar to multi-…
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Im getting a huge spike at the start of my probability, and I can't figure out why... This is by the way for the first time I switched on the double slit wall in the box. (Problem 7 part 2)
![image…
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**Sympton**: electron gas momentum distribution n(k) is wrong at fractional twist (i.e. not 0 or 0.5)
**Direct cause**: `MomentumEstimator::putSpecial` subtracts the twist vector from kpoint grid, w…
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Hello, Shanka,
As a beginner, I do not understand the meaning of some parameters, and I am looking forward to your help.
The Lowdin Population Analysis is always displayed at the end of the total en…
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### Expected behavior
Running `qml.matrix` on a tensor product of observables does not change either observable.
```
>>> obs = qml.PauliZ(wires=0) @ qml.PauliX(wires=1)
>>> obs1 = qml.PauliZ…
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Hi MFEM community,
I am solving the Schrodinger equation (without potential for now) with Crank Nicolson method.
Based on finite element scheme, I will solving the following numerical problem.
`…
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We should add some documentation on how to use cirq.Simulator.compute_amplitudes . There is no documentation in https://cirq.readthedocs.io/en/stable/generated/cirq.Simulator.html , or in the simulato…
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Currently a huge time waste is getting the wave function for complex molecules like ATP, if we could save the wave function when it is used more than once in `single_frame` that could substantially im…
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## Describe Current Status and Possible Solution
I was testing a 6-water cluster (prism) in a 10-Angstrom box with plane-wave MD when I encountered this issue. The first CG step of each MD step aft…
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I am writing project which need to transform arbitrary molecular into second-quantization Hamiltonian，but I found there is a few codes in pyscf that meets my need.