Non-adiabatic quantum dynamical studies of <inline-formula> <tex-math><?CDATA $\mathrm{Na}(3{\rm{p}})+\mathrm{HD}(\nu =1,\ j=0)\to \mathrm{NaH}/\mathrm{NaD}+{\rm{D}}/{\rm{H}}$?></tex-math><mml:math> <mml:mi>Na</mml:mi> <mml:mo stretchy="false">(</mml:mo> <mml:mn>3</mml:mn> <mml:mi mathvariant="normal">p</mml:mi> <mml:mo stretchy="false">)</mml:mo> <mml:mo>+</mml:mo> <mml:mi>HD</mml:mi> <mml:mo stretchy="false">(</mml:mo> <mml:mi>ν</mml:mi> <mml:mo>=</mml:mo> <mml:mn>1</mml:mn> <mml:mo>,</mml:mo> <mml:mspace width="0.33em"/> <mml:mi>j</mml:mi> <mml:mo>=</mml:mo> <mml:mn>0</mml:mn> <mml:mo stretchy="false">)</mml:mo> <mml:mo>→</mml:mo> <mml:mi>NaH</mml:mi> <mml:mrow> <mml:mo stretchy="false">/</mml:mo> </mml:mrow> <mml:mi>NaD</mml:mi> <mml:mo>+</mml:mo> <mml:mi mathvariant="normal">D</mml:mi> <mml:mrow> <mml:mo stretchy="false">/</mml:mo> </mml:mrow> <mml:mi mathvariant="normal">H</mml:mi> </mml:math> <inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="cpb_28_6_063401

Non-adiabatic quantum dynamical studies of

Na ( 3 p ) + HD ( ν = 1 , j = 0 ) → NaH / NaD + D / H

reaction

Wen Yue-Pei, Buren Bayaer, Chen Mao-Du^†

Energy diagram of reactants, products, and the most possible reaction path on WYYC diabatic PESs. Blue and red line represent V₁₁ and V₂₂ elements of WYYC PESs, respectively.