The coupled-cluster method restricted to single and double excitations from a closed-shell reference function (CCSD) and the corresponding quadratic configuration interaction method (QCISD) are formulated in terms of quantities which can be computed directly from the two-electron integrals in AO basis...
Configuration interaction calculations on the P2 molecule:Ⅲ. spectroscopic properties of the A1∏g state, the A1∏g-X1Sg+ transition bands and a comparison with the results for the X1Sg+, a3Su+ and b3∏2-g states and related ... G De Brouckere,D Feller - 《Journal of Physics B Atomi...
oCrudne+r1eannerdgCy udnifVfe(rnen =ce 1s–, 1en2)ercgluysgtaeprss are discussed by means of the atomic averaged between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), the VIP, the vertical electron affinity (VEA) and photoelectron ...
The next sections take a closer look at some of the system calls and libraries. We'll concentrate on what's different between the systems. Sockets and Networking Most of the socket and networking code should simply need to be recompiled for the OS you are using, and the resulting executable...
E. coli CC104 was used as reference organism for data comparison; however, this dose proved to be lethal to this organism, making the comparison impossible. This suggests that C. violaceum displays far more efficient mechanisms of peroxide detoxification and oxidative stress tolerance than those ...
DNS (Domain Name Service) provides IP to name mapping for hosts that access the Internet and the vast majority of DNS servers are running software that has been the victim of many high- profile security attacks: the Berkeley Internet Domain (BIND). Given the critical importance of the DNS in...
Full fourth-order MBPT [i.e. SDTQ MBPT(4)], CC doubles (CCD) and CC singles and doubles (CCSD) energies are compared with the over one-million configuration 'bench-mark" Cl calculation of Saxe et al. Though the SCF and LO reference determinant energies differ by 0.29706 hartree, the ...
There are two main types of DC-DC converters: isolated and non-isolated [41]. Figure 3 illustrates the power converter family and showcases the common converter topologies in both categories [8]. The design of isolated DC-DC converters commonly features a high-frequency transformer between the ...
processes Article Comparison between Two Solid-Liquid Extraction Methods for the Recovery of Steviol Glycosides from Dried Stevia Leaves Applying a Numerical Approach Monica Gallo 1,* ID , Andrea Formato 2, Gaetano Formato 2 and Daniele Naviglio 3 ID 1 Department of Molecular Medicine and Medical ...
A well-balanced on-board system architecture must be created on the aircraft level where synergies between subsystems can also be considered. There are several proposals in the literature on methodologies and frameworks for evaluating system architectures at the aircraft level. The flight control actuat...