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排序方式: 共有474条查询结果,搜索用时 15 毫秒
41.
Toshikatsu Koga Katsutoshi Kanayama Tadanori Watanabe Takashi Imai Ajit J. Thakkar 《Theoretical chemistry accounts》2000,104(5):411-413
Analytical approximations to Hartree–Fock wave functions are constructed using Slater-type functions for the ground states
of all 49 neutral atoms from Cs (Z=55) to Lr (Z=103). The current compilation is more extensive and more accurate than previous ones. The wave functions are available upon
request from the authors or from the Web page http://www.unb.ca/chem/ajit/download.htm on the Internet.
Received: 6 December 1999 / Accepted: 29 February 2000 / Published online: 12 May 2000 相似文献
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A. I. Panin 《International journal of quantum chemistry》2006,106(8):1786-1794
A new algebraic structure on a finite dimensional electronic Fock space is studied in detail. This structure is defined in terms of a certain multiplication of many electron wave functions and has close interrelation with coupled cluster and similar approaches. Its study simplifies the mathematical backgrounds of these approaches. Even more, it leads to relations that would be very difficult to derive using conventional technique. Formulas for action of the creation‐annihilation operators on products of state vectors are derived. Explicit expressions for action of simplest particle‐conserving products of the creation‐annihilation operators on powers of state vectors are given. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 相似文献
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In this paper we investigate Leibniz algebras whose quotient Lie algebra is a naturally graded filiform Lie algebra . We introduce a Fock module for the algebra and provide classification of Leibniz algebras whose corresponding Lie algebra is the algebra with condition that the ideal is a Fock -module, where is the ideal generated by squares of elements from .We also consider Leibniz algebras with corresponding Lie algebra and such that the action gives rise to a minimal faithful representation of . The classification up to isomorphism of such Leibniz algebras is given for the case of . 相似文献
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We study a family of stationary increment Gaussian processes, indexed by time. These processes are determined by certain measures σ (generalized spectral measures), and our focus here is on the case when the measure σ is a singular measure. We characterize the processes arising from σ when σ is in one of the classes of affine selfsimilar measures. Our analysis makes use of Kondratiev white noise spaces. With the use of a priori estimates and the Wick calculus, we extend and sharpen (see Theorem 7.1) earlier computations of Ito stochastic integration developed for the special case of stationary increment processes having absolutely continuous measures. We further obtain an associated Ito formula (see Theorem 8.1). 相似文献
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在腔场与可移动镜子系统中对镜子位置的测量 总被引:3,自引:0,他引:3
描述利用腔场与镜的相互作用,对镜的位置坐标进行测量选域以使腔场变为Fock态的叠加态.并进一步讨论其压缩特性及相干性,通过数值计算,发现该腔场有非经典效应,即有一定的压缩效应和反聚束效应. 相似文献
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We construct a proper canonical transformation that reduces the quadratic Bose operator to a direct sum of finite-dimensional
quadratic operators each of which can be reduced by a finite-dimensional canonical transformation to one of the standard forms
corresponding to the standard forms of real quadratic Hamiltonians.
Translated fromMatematicheskie Zametki, Vol. 61, No. 1, pp. 69–90, January, 1997. 相似文献