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2025-05-26 15:01:38 +08:00
parent 3cf53d2e95
commit 37726e2285

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@@ -10,53 +10,55 @@
let B2 = [B#sub[2]];
let E1 = [E#sub[1]];
let E2 = [E#sub[2]];
table(columns: 27, align: center + horizon, inset: (x: 3pt, y: 5pt),
[*Number of Mode*],
table(columns: 28, align: center + horizon, inset: (x: 3pt, y: 5pt),
m2[*Number of Mode*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
[1], m2[2], [3], m2[4], [5], [6], [7], [8], m3[9], [10], [11], [12], m2[13], [14], m2[15], m3[16], [17], [18],
[*Vibration Direction*],
m2[*Vibration Direction*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
[x], m2[y], [x], m2[y], [x], [y], m2[z], m3[z], [x], [y], [x], m2[y], [x], m2[y], m3[z], m2[z],
[*Representation in Group C#sub[6v]*],
m(3, E2), m(3, E2), m(2, E1), B1, B1, m(3, A1), m(2, E1), m(3, E2), m(3, E2), m(3, A1), B1, B1,
[*Representation in Group C#sub[2v]*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
A2, m(2, A1), A2, m(2, A1), B2, B1, B1, B1, m(3, A1), B2, B1, A2, m(2, A1), A2, m(2, A1), m(3, A1), B1, B1,
[*Raman-active or Not*],
m(8)[Raman-active], m2[Raman-inactive], m(14)[Raman-active], m2[Raman-inactive],
[*Scattering in Polarization #linebreak() (non-zero Raman #linebreak() tenser components)*],
// E2 E2 E1 2B1 A1
[xy], [xx], [yy], [xy], [xx], [yy], [xz], [yz], m2[-], [xx], [yy], [zz],
// E1 E2 E2 A1 2B1
[xz], [yz], [xy], [xx], [yy], [xy], [xx], [yy], [xx], [yy], [zz], m2[-],
[*Raman Intensity (a.u.)*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
[*Visible in Common #linebreak() Raman Experiment or Not*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m(8)[Visible], m2[-], m3[Visible], m2[Invisible], m3[Visible], m(5)[Invisible], [Visible], m2[-],
[*Wavenumber #linebreak() (Simulation) (cm#super[-1])*],
// E2 E2 E1 2B1 A1
m3[190.51], m3[197.84], m2[257.35], [389.96], [397.49], m3[591.90],
// E1 E2 E2 A1 2B1
m2[746.91], m3[756.25], m3[764.33], m3[812.87], [885.68], [894.13],
[*Wavenumber #linebreak() (Experiment) (cm#super[-1])*],
// E2 E2 E1 2B1 A1
m3[195.5], m3[203.3], m2[269.7], m2[-], m3[609.5],
// E1 E2 E2 A1 2B1
m2[-], m3[776], m(5)[-], [839], m2[-],
[*FWHM #linebreak() (Simulation) (cm#super[-1])*],
// E2 E2 E1 2B1 A1
m3[0.08], m3[0.09], m2[0.08], m2[-], m3[0.61],
// E1 E2 E2 A1 2B1
m2[3.97], m3[4.62], m3[4.01], m3[0.89], m2[-],
// TODO: 怎么选取用于比较的合适的实验?
[*FWHM #linebreak() (Experiment, zxxz) (cm#super[-1])*],
// E2 E2 E1 2B1 A1
m3[2.61], m3[2.09], m2[1.98], m2[-], m3[2.64],
// E1 E2 E2 A1 2B1
m2[-], m3[3.27], m3[-], m3[-], m2[-],
[*Electrical Polarity*],
table.cell(rowspan: 2)[*Representation*],
[C#sub[6v]], m(3, E2), m(3, E2), m(2, E1), B1, B1, m(3, A1), m(2, E1), m(3, E2), m(3, E2), m(3, A1), B1, B1,
[C#sub[2v]],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
A2, m(2, A1), A2, m(2, A1), B2, B1, B1, B1, m(3, A1), B2, B1, A2, m(2, A1), A2, m(2, A1), m(3, A1), B1, B1,
table.cell(rowspan: 4)[*Raman Tensor*],
[Non-zero components],
// E2 E2 E1 2B1 A1
[xy], [xx], [yy], [xy], [xx], [yy], [xz], [yz], m2[None], [xx], [yy], [zz],
// E1 E2 E2 A1 2B1
[xz], [yz], [xy], [xx], [yy], [xy], [xx], [yy], [xx], [yy], [zz], m2[None],
[Analysis result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
[Calculation result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
[Experiment result (a.u.)],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[0.17], m3[1.13], m2[2.43], m2[0], m2[2.83], [1.79], m2[0.09], m3[88.54], m3[0.50], m2[0.01], [1.78], m2[0],
table.cell(rowspan: 2)[*Frequency* (cm#super[-1])],
[Simulation],
// E2 E2 E1 2B1 A1
m3[190.51], m3[197.84], m2[257.35], [389.96], [397.49], m3[591.90],
// E1 E2 E2 A1 2B1
m2[746.91], m3[756.25], m3[764.33], m3[812.87], [885.68], [894.13],
[Experiment],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m3[195.5], m3[203.3], m2[269.7], m2[-], m3[609.5], m2[-], m3[776], m(5)[-], [839], m2[-],
table.cell(rowspan: 2)[*FWHM* (cm#super[-1])],
[Simulation],
// E2 E2 E1 2B1 A1
m3[0.08], m3[0.09], m2[0.08], m2[-], m3[0.61],
// E1 E2 E2 A1 2B1
m2[3.97], m3[4.62], m3[4.01], m3[0.89], m2[-],
// TODO: 怎么选取用于比较的合适的实验?
[Experiment, zxxz],
// E2 E2 E1 2B1 A1
m3[2.61], m3[2.09], m2[1.98], m2[-], m3[2.64],
// E1 E2 E2 A1 2B1
m2[-], m3[3.27], m3[-], m3[-], m2[-],
m2[*Polarity*],
// E2 E2 E1 2B1 A1 E1 E2 E2 A1 2B1
m(6)[None], m2[Weak], m2[None], m(5)[Weak], m(6)[None], m3[Weak], m2[None],
)},