H2O ground state for a single point, updated text
"source": [
"## _*QISKit ACQUA Chemistry, H2O ground state computation*_\n",
"\n",
- "This notebook demonstrates how to use QISKit ACQUA Chemistry to compute the ground state energy of a Water (H20 molecule using VQE and UCCSD.\n",
+ "This notebook demonstrates how to use QISKit ACQUA Chemistry to compute the ground state energy of a water (H2O) molecule using VQE and UCCSD.\n",
"\n",
"This notebook has been written to use the PYSCF chemistry driver. See the PYSCF chemistry driver readme if you need to install the external PySCF library that this driver requires."
]
"cell_type": "markdown",
"metadata": {},
"source": [
- "With the above input problem dictionary for water we now create a ACQUAChemistry object and call run on it passing in the dictionary to get a result. We use ExactEigensolver as a reference."
+ "With the above input problem dictionary for water we now create an `ACQUAChemistry` object and call `run` on it passing in the dictionary to get a result. We use ExactEigensolver first as a reference."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
- "The run method returns a result dictionary. Some notable fields include 'energy' which is the computed ground state energy."
+ "The `run` method returns a result dictionary. Some notable fields include 'energy' which is the computed ground state energy."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
- "We now run the computation using VQE and update the dictionary accordingly."
+ "We update the dictionary, for VQE with UCCSD, and run the computation again."
]
},
{
