Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Calculations of Time-Reversal Symmetry Violation Sensitivity Parameters
  Based on Analytic Relativistic Coupled-Cluster Gradient Theory   We develop an analytic-gradient based method for relativistic coupled-cluster
calculations of effective electric field, $\mathcal{E}_{\text{eff}}$, with
improved efficiency and robustness over the previous state of the art. The
enhanced capability to calculate this time-reversal symmetry violation
sensitivity parameter enables efficient screening of candidate molecules for
the electron electric dipole moment (eEDM) search. As examples, the
|$\mathcal{E}_{\text{eff}}$| values of metal methoxides including BaOCH$_3$,
YbOCH$_3$, and RaOCH$_3$ are shown to be as large as those of the corresponding
fluorides and hydroxides, which supports the recent proposal of using these
symmetric-top molecules to improve the sensitivity of eEDM measurements. The
computational results also show that molecules containing late actinide
elements, NoF, NoOH, LrO, and LrOH$^+$, exhibit particularly large
|$\mathcal{E}_{\text{eff}}$| values of around 200 GV/cm.

26
The categories of this paper are: bayes-an
37
The categories of this paper are: supr-con
11
The categories of this paper are: hep-lat
10
The categories of this paper are: q-bio
31
The categories of this paper are: ao-sci
23
The categories of this paper are: solv-int
0
The categories of this paper are: hep-ph
22
The categories of this paper are: chao-dyn
7
The categories of this paper are: hep-th
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The categories of this paper are: eess
34
The categories of this paper are: chem-ph
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The categories of this paper are: dg-ga
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The categories of this paper are: econ
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The categories of this paper are: nucl-th
9
The categories of this paper are: nlin
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The categories of this paper are: funct-an