Theoretical investigation of the A<sup>1</sup>Π-X<sup>1</sup>Σ<sup>+</sup>, B<sup>1</sup>Σ<sup>+</sup>-X<sup>1</sup>Σ<sup>+</sup>, C<sup>1</sup>Σ<sup>+</sup>-X<sup>1</sup>Σ<sup>+</sup>, and E<sup>1</sup>Π-X<sup>1</sup>Σ<sup>+</sup> transitions of the CO molecule.
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ABSTRACT: The spectrum of carbon monoxide is important for astrophysical media, such as planetary atmospheres, interstellar space, exoplanetary and stellar atmospheres; it also important in plasma physics, laser physics and combustion. Interpreting its spectral signature requires a deep and thorough understanding of its absorption and emission properties. A new accurate spectroscopic model for the ground and electronically-excited states of the CO molecule computed at the aug-cc-pV5Z ab initio CASSCF/MRCI+Q level is reported. Detailed investigation of the A1Π-X1Σ+, B1Σ+-X1Σ+, C1Σ+-X1Σ+, and E1Π-X1Σ+ band systems is presented consisting of ca
SUBMITTER: Khalil M
PROVIDER: S-EPMC11736852 | biostudies-literature | 2025 Jan
REPOSITORIES: biostudies-literature
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