Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Quantum Chemistry Calculations using Energy Derivatives on Quantum
  Computers   Quantum chemistry calculations such as the prediction of molecular properties
and modeling of chemical reactions are a few of the critical areas where
near-term quantum computers can showcase quantum advantage. We present a method
to calculate energy derivatives for both ground state and excited state
energies with respect to the parameters of a chemical system based on the
framework of the variational quantum eigensolver (VQE). A low-depth
implementation of quantum circuits within the hybrid variational paradigm is
designed, and their computational costs are analyzed. We showcase the
effectiveness of our method by incorporating it in some key quantum chemistry
applications of energy derivatives, such as to perform minimum energy
configuration search and estimate molecular response properties estimation of
H$_2$ molecule, and also to find the transition state of H$_2$ + H
$\leftrightarrow$ H + H$_2$ reaction. The obtained results are shown to be in
complete agreement with their respective full configuration interaction (FCI)
values.

22
The categories of this paper are: chao-dyn
4
The categories of this paper are: cond-mat
20
The categories of this paper are: acc-phys
34
The categories of this paper are: chem-ph
19
The categories of this paper are: eess
30
The categories of this paper are: q-alg
17
The categories of this paper are: q-fin
14
The categories of this paper are: math-ph
28
The categories of this paper are: alg-geom
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
25
The categories of this paper are: patt-sol
35
The categories of this paper are: mtrl-th
21
The categories of this paper are: adap-org
7
The categories of this paper are: hep-th
15
The categories of this paper are: nucl-ex