Molecular Tomography of the Quantum State by Time-Resolved Electron Diffraction

Table 2

Sum of the diagonal density matrix elements (∑_𝑛𝝆_𝑛), approximate von Neuman entropies (𝑆), and approximate purity parameters (𝑆^pur) for N₂ and CS.

	∑𝑛𝝆𝑛	𝑆	𝑆^pur
N2 (exp)^a	1.03	0.19	0.012
N2 (theor)^b	1.00	0.039	0.013
CS (nasc)^c	1.00	2.49	0.91
CS (nasc)^d	1.00	2.21	0.87
CS (20 ns)^e	0.97	1.56	0.77
CS (40 ns)^e	0.95	1.92	0.86
CS (120 ns)^e	0.90	2.11	0.88

aValues obtained from experimental electron diffraction intensities of N₂ in an equilibrium Boltzmann distribution recorded at 673 K. Estimated uncertainties are 0.01. ^bValues calculated for a Boltzmann distribution at 𝑇=673 K. ^cValues derived from the nascent ensemble of CS reported in [46]. ^dValues derived from the nascent ensemble of CS reported in [47]. ^eValues derived from TRED data of photogenerated CS recorded at 20, 40, and 120 ns after the 193 nm photodissociation of CS₂.