B state energy

Figure 5. Potential energy vs dihedral angle for the first two excited states of hydrogen peroxide, a. SCI calculation for 2 A state b. HPHF calculation for l B state. Energy scales are chosen for convenience.

FIGURE 8.1. Orbital and state energy correlation diagrams of a typical syminelry-forbiddcn thermal reaction, where q refers to an appropriate reaction coordinate (a) orbital energy and (b) state energy. 

There has been much speculation that the A state is important in carotenoid to chlorophyll energy transfer. Depending upon the size of the A-B state energy gap and the relative widths of the A and B state emissions, energy transfer to chlorophyll from the energetically lower carotenoid A state might have more favorable donor-acceptor spectral overlap than transfer from the carotenoid B state. Also, since B to A internal conversion occurs within 100 fs following initial population of the optically accessible B state [4, 5, 6], transfer solely from the B state would have to be extremely rapid. There has, however, never been direct evidence of the involvement of a carotenoid A state in carotenoid to chlorophyll... 

Figure Bl.15.2. The state energies and eorresponding eigenfiinetions (l igh-field labels) as a fiinetion of the applied magnetie field Bq for a system of spin S = 1 and B z, shown for D>0 and E O. The two primary transitions (A Mg= l) are indieated for a eonstant frequeney speetnim. Note that, beeause E O, the state energies vary nonlinearly with Bq at low Bq.

Stanley R J, King B and Boxer S G 1996 Excited state energy transfer pathways in photosynthetic reaction centers. 1. Structural symmetry effected. Phys. Chem. 100 12 052-9... 

Figure B3.3.10. Contour plots of the free energy landscape associated with crystal niicleation for spherical particles with short-range attractions. The axes represent the number of atoms identifiable as belonging to a high-density cluster, and as being in a crystalline environment, respectively, (a) State point significantly below the metastable critical temperature. The niicleation pathway involves simple growth of a crystalline nucleus, (b) State point at the metastable critical temperature. The niicleation pathway is significantly curved, and the initial nucleus is liqiiidlike rather than crystalline. Thanks are due to D Frenkel and P R ten Wolde for this figure. For fiirther details see [189].

An example of an investigation of vibrational motion in a bound (excited) electronic state is in the B state of I2 (see Section 73.2). Figure 9.44 shows potential energy curves for three electronic state of I2, the ground state the first excited state B IIq+ and a higher... 

Gesztesy, F Grosse, H., and Thaller, B., 1984, A rigorous approach to relativistic corrections of bound state energies for spin-1/2 particles , Ann. Inst. Poincare 40 159. 

Figure 10. Electron excitations in radicals (a) Collective representation of one-electron transitions of the A, B, and C types if denotes MO (b) LCI energy-level scheme (Jablonski diagram) for doublet and quartet states indicating why with radicals fluorescence (- - -) but not phosphorescence is observed. Spin-forbidden transitions are represented by dashed lines.

Fig. 35). The potential energy curves and the transition dipole moment are taken from [117]. The time evolution of the populations on the ground and excited states is shown in Fig. 36 More than 86% of the initial state is excited to the B state within the period shorter than a few femtoseconds. The integrated total transition probability V given by Eq. (173) is P = 0.879, which is in good agreement with the value 0.864 obtained by numerical solution of the original coupled Schroedinger equations. This means that the population deviation from 100% is not due to the approximation, but comes from the intrinsic reason, that is, from the spread of the wavepacket. Note that the LiH molecule is one of the...

Figure 18. Contour plots of the potential energy surfaces of the first three electronic states of H2O. The polar plots depict the movement of one H atom around OH with an OH bond length fixed at 1.07 A. Energies are in electron volts relative to the ground electronic state. The X and B states are degenerate at the conical intersection (denoted by (g)) in the (a) H—OH geometry and (b) H—HO geometry. Reprinted fix)m [75] with permission from the American Association for the Advancement of Science.

Table 1 Optimized energy values for the and B states of the methylene as function of the HCH bending angle.

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