Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Conservation laws in coupled cluster dynamics at finite-temperature   We extend the finite-temperature Keldysh non-equilibrium coupled cluster
theory (Keldysh-CC) [{\it J. Chem. Theory Comput.} \textbf{2019}, 15,
6137-6253] to include a time-dependent orbital basis. When chosen to minimize
the action, such a basis restores local and global conservation laws
(Ehrenfest's theorem) for all one-particle properties, while remaining energy
conserving for time-independent Hamiltonians. We present the time-dependent
orbital-optimized coupled cluster doubles method (Keldysh-OCCD) in analogy with
the formalism for zero-temperature dynamics, extended to finite temperatures
through the time-dependent action on the Keldysh contour. To demonstrate the
conservation property and understand the numerical performance of the method,
we apply it to several problems of non-equilibrium finite-temperature dynamics:
a 1D Hubbard model with a time-dependent Peierls phase, laser driving of
molecular H$_2$, driven dynamics in warm-dense silicon, and transport in the
single impurity Anderson model.

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The categories of this paper are: supr-con
23
The categories of this paper are: solv-int
13
The categories of this paper are: quant-ph
16
The categories of this paper are: stat
29
The categories of this paper are: funct-an
1
The categories of this paper are: cs
33
The categories of this paper are: plasm-ph
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
26
The categories of this paper are: bayes-an
2
The categories of this paper are: math
25
The categories of this paper are: patt-sol
22
The categories of this paper are: chao-dyn
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The categories of this paper are: alg-geom
20
The categories of this paper are: acc-phys
19
The categories of this paper are: eess