Analytical Expressions of Exchange and Three-center Nuclear Attraction Integrals Over 1s and 2s Slater Orbitals with Different Exponents. Chem. Phys. Lett. 2005, 412, 244.Ruiz M.B., Peuker K., (2005). Chem. Phys. Lett. 412, 244Ruiz, M.B., Peuker, K.: Analytical expressions of ...
The electron configuration of an element suggests to us how the electrons are distributed in its atomic orbitals. In other words, it is the arrangement of electrons within an atom and describes where the electrons are in the orbitals. The elements' structure of the periodic table...
Units nuclear charge units Notes The numbers quoted here were calculated using methods known as "self-consistent-field" (SCF) calculations. You can view values in a number of graphic styles for electrons contained in the follwing orbitals: ...
Computation of the potential energy curves and molecular constants of the ground, singly excited and doubly excited states of the $N_{2}$ molecule have been carried out using the self-consistent field molecular orbital method in the LCAO approximations. In this calculation 1s, 2s, 2p, 3s and...
(3)离子的外层电子分布式 ①2电子构型,例如Li+(1s2) ②8电子构型,例如Na+(2s22p6),S2-(3s23p6);③9-17电子构型,例如Fe3+(3s23p63d5), Cu2+(3s23p63d9);④18电子构型,例如Ag+(4s24p64d10), Zn2+(3s23p63d10);⑤18+2电子构型,例如Pb2+(5s25p65d106s2), Sn2+(4s24p64d105s2)。 2.1...
生气的节为在地面状态 Is2 2s 和激动的状态 1s2 的李原子是电子光电游离和相应动摇过程 2p, 1s2 3s, 1s2 3p 和 1s2 3d 用多配置 Dirac-Fock 方法被计算.在 hv = 的最近的试验性的光电子光谱 100 eV [Cubaynes D 等.Phys.加快.Lett.99 (2007 ) 213004 ] 被现在的理论调查最优地复制了.动摇卫星...
Accurate configuration interaction wavefunctions for the 2s2(1S), 2p2(1S), 2s3s(1S) and 2s2p (1P) states of B(II) are calculated in a single optimized orbital basis of 7s, 6p and 4d Slater-type orbitals. 95, 84, 57 and 90% of the correlation energies, respectively, are realized ...
Some radial atomic properties of Be-atom in different excited states (1s2 2s 3s, 1s2 2s 4s, 1s2 2s 5s) (1s) have been obtained using two electron density function (r1,r2) in order to solve Hartree-Fock equations using slater type orbitals using partitioning technique within the individu...
photoionizationfluorescenceAuger decayWe have studied the dissociation of the COmolecule into neutral fragments by observing coincidences between neutral metastable fragments and photoions at photon energies between 250 eV and 600 eV. We attribute the metastable signal to oxygen atoms in the 2s2p(S)3s...