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Extended density functions angular momentum

Does it exist , can, of course, not yet be answered on these grounds alone. Experience shows that the MBPT procedure yields energy barriers that are too high. This will be demonstrated later in this report for the N4 molecule. To estimate the kinetic stability of 8 more accurately, other calculation methods such as MP2, MP4, CC, or MCSCF-CI should also be employed. Meanwhile, density functional theory (DFT) has been developed and the available basis sets are extended to higher angular momentum quantum numbers. Therefore, the author of this report applied himself... [Pg.266]


See other pages where Extended density functions angular momentum is mentioned: [Pg.222]    [Pg.353]    [Pg.360]    [Pg.787]    [Pg.623]    [Pg.133]    [Pg.386]    [Pg.387]    [Pg.135]    [Pg.503]    [Pg.145]    [Pg.198]    [Pg.207]   
See also in sourсe #XX -- [ Pg.21 ]




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