CCL: accurate computation for active and inactive orbitals

From: "Cheng Fei Phung" <feiphung-*-hotmail.com>
Subject: CCL: accurate computation for active and inactive orbitals
Date: Fri, 31 Mar 2023 00:47:29 -0400

 Sent to CCL by: "Cheng Fei  Phung" [feiphung#hotmail.com]
 Could anyone provide accurate computation for active and inactive orbitals to be
 used in https://qiskit.org/documentation/nature/locale/bn_BN/stubs/qiskit_nature.second_q.transformers.FreezeCoreTransformer.html
 and
 https://qiskit.org/documentation/nature/stubs/qiskit_nature.second_q.transformers.ActiveSpaceTransformer.html
 ?
 My current inaccurate solution is using HOMO-LUMO approach.  See https://github.com/tencent-quantum-lab/tensorcircuit/issues/120#issuecomment-1457932770
 I am looking at https://www.scm.com/doc/BAND/index.html which seems to
 provide [some DFT methods](https://i.imgur.com/mHeWCtl.png) to do so.
 However, I do not have access to SCM software.
 Any suggestions ?