Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Simulation of Electronic Structure Hamiltonians Using Quantum Computers   Over the last century, a large number of physical and mathematical
developments paired with rapidly advancing technology have allowed the field of
quantum chemistry to advance dramatically. However, the lack of computationally
efficient methods for the exact simulation of quantum systems on classical
computers presents a limitation of current computational approaches. We report,
in detail, how a set of pre-computed molecular integrals can be used to
explicitly create a quantum circuit, i.e. a sequence of elementary quantum
operations, that, when run on a quantum computer, to obtain the energy of a
molecular system with fixed nuclear geometry using the quantum phase estimation
algorithm. We extend several known results related to this idea and discuss the
adiabatic state preparation procedure for preparing the input states used in
the algorithm. With current and near future quantum devices in mind, we provide
a complete example using the hydrogen molecule, of how a chemical Hamiltonian
can be simulated using a quantum computer.

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The categories of this paper are: chem-ph
32
The categories of this paper are: atom-ph
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The categories of this paper are: supr-con
31
The categories of this paper are: ao-sci
1
The categories of this paper are: cs
30
The categories of this paper are: q-alg
29
The categories of this paper are: funct-an
16
The categories of this paper are: stat
28
The categories of this paper are: alg-geom
7
The categories of this paper are: hep-th
22
The categories of this paper are: chao-dyn
12
The categories of this paper are: nucl-th
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The categories of this paper are: bayes-an
14
The categories of this paper are: math-ph
36
The categories of this paper are: cmp-lg
15
The categories of this paper are: nucl-ex