Relative energy and associated wavelength of the d → d states at SA-CASSCF (13e/7MO) (average of the five 3d states) and MS-CASPT2 levels. Table S4. Relative MS-CASPT2 (17e/14MO) energy (eV), wavelength (nm), oscillator strength (f ), and dominant component of the wave ...
2. Experimental Section Bi2Te2.55Se0.45 thermoelectric material with an average composition (at. %) of Bi:Te:Se = 40:49:11 was vacuum-melted at 750 ˝C and then zone-refined with a speed of 1 mm/min. For the preparation of diffusion-soldered Bi2Te2.55Se0.45 specimens with Cu ...