【摘 要】
:
The potential energy curves (PECs) of the ground state (3Π) and three low-lying excited states (1∑, 3∑,1Π) of CdSe dimer have been studied by emploging quas
【机 构】
:
Department of Physics, Ludong University, Yantai 264025, China
论文部分内容阅读
The potential energy curves (PECs) of the ground state (3Π) and three low-lying excited states (1∑, 3∑,1Π) of CdSe dimer have been studied by emploging quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel-Sorbie potential function. Based on the PECs,the vibrational levels of the four states are determined by solving the Schr(o)dinger equation of nuclear motion, and corresponding spectroscopic contants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the 3Π state, of which the dissociation asymptote is Cd(1S) + Se(3p), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39eV. However, the first excited state is only 1132.49cm-1 above the ground state and the 3∑ state is the highest in the four calculated states.
其他文献
This paper proposes a method for calculating the Landau damping of a low-energy collective mode in a harmonically trapped Bose-Einstein condensate. Based on the
In this paper, the light-emitting spot sizes and throughputs of the four types of probes are studied using the finitedifference time-domain method, and these pr
The low-energy electron point source (LEEPS) microscope, which creates enlarged projection images with lowenergy field emission electron beams, can be used to o
In this paper, we investigate the length dependence of linear and nonlinear optical properties of finite-length BN nanotubes. The recently predicted smallest BN
In this paper, Titanium dioxide (TiO2) rutile single crystal was irradiated by infrared femtosecond laser pulses with repetition rate of 250 kHz. For a P-polari
We have studied the quantum transport of electrons in a three-step single-barrier A1GaAs heterostructure under electric field. Using the quantum transmitting bo
In the classical Peierls-Nabarro (P-N) theory of dislocation, there is a long-standing contradiction that the stable configuration of dislocation has maximum en
本刊2006年第6期介绍了数据中心的相关标准TIA-942,以及数据中心建设中综合布线需求和考虑因素,本期我们继续讨论数据中心的相关建设。中国工程建设标准化协会信息通信专业委
Based on the propagation law of cross-spectral density function, studied in this paper are the coherence vortices of partially coherent, quasi-monochromatic sin
本试验以冬小麦矮抗58、夏玉米郑单958为供试作物,冬小麦设置2种种植方式:等行距条播(W1,行距20cm)和宽幅种植(W2,幅宽10cm、行距30cm);4种种植密度:105万株·hm-2(P1)、150万株·hm-2(P2)、210万株·hm-2(P3)、270万株·hm-2(P4)。夏玉米设置三种种植方式:等行距种植(A1,行距60cm)、宽窄行种植(A2,宽行距70cm、窄行距50cm)、