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- W4387079202 abstract "A systematic spectroscopic work using multireference configuration interaction (MRCI) and coupled cluster (CC) calculations was performed in conjunction with large basis sets for AgS. As a result, a more accurate dissociation energy of 17,542 cm−1 is predicted for the X2Π using an analytical potential energy curve, including spin-orbit effects. The calculated energy separation Te(A)∼ 10,500 cm−1 suggests that the AgS(A2Σ+ → X2Π) band system is in near-IR. An unobserved 32Π → X2Π band system is predicted with Einstein coefficient for spontaneous emission of the orders of 104–105 s−1 in the UV region (342 nm). The radiative lifetimes for the A2Σ+ are of the order of ∼100 microseconds. The AgS(A) state presents a possible predissociation channel caused by interactions with the quartet 14Σ− and 14Π states. The spin-orbit coupling effects are considered in this work by utilizing the Breit–Pauli operator. The present findings are good references for future spectroscopic research concerning heavy-element sulfides." @default.
- W4387079202 created "2023-09-28" @default.
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- W4387079202 date "2023-12-01" @default.
- W4387079202 modified "2023-10-09" @default.
- W4387079202 title "Transition probabilities of the AgS(A<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=d1e2536 altimg=si292.svg><mml:mrow><mml:msup><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:msup><mml:mrow><mml:mi>Σ</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=d1e2552 altimg=si394.svg><mml:mo>→</mml:mo></mml:math> X<mml:math xmlns…" @default.
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