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Questions Tagged with "ab initio calculations"

Explore solved questions tagged with "ab initio calculations" or help others by answering their unsolved questions related to "ab initio calculations".

Why are single excitations ignored in the MP2 component of double hybrid functional calculations?

1 answer

Matter Modeling Asked 2 years ago

What ab initio methods are better suited to modelling disorder in materials?

3 answer

Matter Modeling Asked 3 years ago

What are some methods for modeling bulk phase infrared spectra?

2 answer

Matter Modeling Asked 3 years ago

What is the closest thing we have to "the" universal density functional?

4 answer

Matter Modeling Asked 3 years ago

What are the types of ab initio Molecular Dynamics?

3 answer

Matter Modeling Asked 3 years ago by Etienne Palos

What are the types of SCF?

5 answer

Matter Modeling Asked 3 years ago

Great computer graphics for matter modelling

1 answer

Matter Modeling Asked 4 years ago by user14717

How to do state tomography when using sampling in Qiskit?

1 answer

Quantum Computing Asked 4 years ago

Create this state using CIRQ Coding language

1 answer

Quantum Computing Asked 4 years ago by Upatel2

Type object 'AllPairs' has no attribute 'params'

1 answer

Quantum Computing Asked 4 years ago by Shubham Agnihotri

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