Excitation coefficient

If we used perturbation theory to estimate the expansion coefficients c etc., then all the singly excited coefficients would be zero by Brillouin s theorem. This led authors to make statements that HF calculations of primary properties are correct to second order of perturbation theory , because substitution of the perturbed wavefunction into... 

Coefficient de self-excitation (Coefficient of Self-excitation Test), abbr CSE Aptitude a transmettre la detonation a distance (Capability to Transmit the Detonation at a Distance) Detonation par influence (Detonation by Influence) or Detonation sympatique (Sympathetic Detonation). See Ref 7, p 799 Ref 17, p 74 Ref 19, p 342 Ref 20, p 10 and Ref 23, pp D395-R to D405-L... 

In 1958, Nesbet extended Brueckner s theory for infinite nuclear mat-ter to nonuniform systems of atoms and molecules. By consideration of the CISD problem in which the electronic Hamiltonian is diagonalized within the basis of the reference and all singly and doubly excited determinants, Nesbet explained that Brueckner theory allows one to construct a set of orthonormal molecular orbitals for which the correlated wavefunction coefficients for all singly excited determinants vanish. Unfortunately, the construction of the set of orbitals that fulfill this Brueckner condition can be determined only a posteriori from the single excitation coefficients computed in a given orbital basis. As a result, the practical implementation of Brueckner-orbital-based methods has... 

Transmission de la detonation d distance (Transmission of Detonation at a Distance), also known as Coefficient de self-excitation (Coefficient of Self-excitation) or Aptitude b tronsmettre lo ddtonation b distance (Capability, to Transmit the Detonation at a Distance). This test is known in the USA as Gap Test, Sympathetic Deto-notion Test or Detonation by Influence Test. The French modification of the test described by M dard (Ref 8, pp 342-44) was earlier described by Dutour (Ref 6). This test is described in Vol 3 of Encycl, p C3SX) as Coefficient de Self-excitation (CSE) and gap values for several expls at different densities are given... 

J Based upon aR values and upon excitation coefficients for ethyl 3-methyl-4-dimethylaminobenzoate. 

If we substitute the all-order wave function j l ) into the Schrodinger equation (134), we obtain the following equations for the single- and double-excitation coefficients. 

The problem, however, lies in the fact that these doubly excited determinants are equipped with coefficients obtained in the full Cl method (i.e., with all possible excitations). How is this We should draw attention to the fact that, in deriving the formula for A , intermediate normalization is used. If someone gave us the normalized FCl wave functions as a Christmas gift, then the coefficients occurring in the formula for AE would not be the double excitation coefficients in the FCI function. We would have to denormalize this function to have the coefficient for the Hartree-Fock determinant equal to 1. We cannot do this without knowledge of the coefficients for higher excitations. 

A theoretical calculation of the prevailing gap excitation coefficient on the basis of the excitation forces resulted in a value of about 18 KN/mm as indicated by the horizontal line in Fig. 15. This shows that the bearing modifications using the original rotor were not qualitatively sufficient. 

Fig. 15 Permissible gap excitation coefficient foi the different applied bearing types resp. bearing geometries...

We now introduce a wave function, which not only contains double excitations but also quadruples, hextuples, etc. excitations in such a way that the coefficients of the 2nth-tuple excitations are approximated by products of n doubly excited coefficients. Such a wave function Occa)> written as... 

Given their efficiency as FRET donors, QDs have also been proposed and explored as antennas for PDT treatments. There are several specific features of QDs that make them very attractive for efficient photo-sensitation via FRET (i) a broad absorption spectra which allows to finely customise the donor excitation wavelength (ii) strong excitation coefficients, exceeding those of most PSs (iii) a narrow emission spectrum that can be finely tuned to match the absorption of the PS, and (iv) a large surface to volume ratio which enables loading of multiple PS molecules. 

The ratio of cis- and trans- isomers in photostationary state will depends on the absorption maximum and molar excitation coefficient (Emax) lli ... 

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