COUPLED CLUSTER CALCULATIONS FOR LINEAR C-8(-)(X)OVER-TILDE(2)PI(G) AND (C)OVER-TILDE(2)PI(U)) AND C-8(X)OVER-TILDE (3)SIGMA(-)(G))

Schmatz S.; Botschwina P.

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COUPLED CLUSTER CALCULATIONS FOR LINEAR C-8(-)(X)OVER-TILDE(2)PI(G) AND (C)OVER-TILDE(2)PI(U)) AND C-8(X)OVER-TILDE (3)SIGMA(-)(G))

机译：线性C-8（-）（X）叠砌（2）PI（G）和（C）叠砌（2）PI（U））和C-8（X）叠砌的耦合簇计算（ 3）适马（-）（G））

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Large-scale open-shell coupled cluster calculations have been carried out for the two lowest (II)-I-2 states of C-8(-) and the electronic ground state of linear C-8. The calculated spectrum of the (IIu)-I-2 <-- (

机译：已经对C-8（-）的两个最低（II）-I-2状态和线性C-8的电子基态进行了大规模的开壳耦合簇计算。（IIu）-I-2的计算光谱<-（

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来源
《Chemical Physics Letters》 |1995年第1期|共7页
作者
Schmatz S.; Botschwina P.;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词
Carbon clusters; Wave-functions; Basis-sets; Spectroscopy; Spectra;

机译：碳簇;波函数;基集;光谱学;光谱;

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1. COUPLED CLUSTER CALCULATIONS FOR LINEAR C-8(-)(X)OVER-TILDE(2)PI(G) AND (C)OVER-TILDE(2)PI(U)) AND C-8(X)OVER-TILDE (3)SIGMA(-)(G)) [J] . Schmatz S., Botschwina P. Chemical Physics Letters . 1995,第1期

机译：线性C-8（-）（X）叠砌（2）PI（G）和（C）叠砌（2）PI（U））和C-8（X）叠砌的耦合簇计算（ 3）适马（-）（G））
2. Further spectroscopic investigations of the high energy electronic states of SrOH: The (B)over-tilde '(2)Sigma(+)(000)-(A)over-tilde(2)Pi(000) and the (D)over-tilde(2)Sigma(+)(000)-(A)over-tilde(2)Pi(000) transitions [J] . Wang JG, Dick MJ, Sheridan PM, Journal of Molecular Spectroscopy . 2007,第1期

机译：SrOH的高能电子态的进一步光谱研究：（B）波浪线'（2）Sigma（+）（000）-（A）波浪线（2）Pi（000）和（D） -波浪号（2）Sigma（+）（000）-（A）波浪号（2）Pi（000）过渡
3. Sub-Doppler spectroscopy of the (A)over-tilde(2)Sigma(+)-(X)over-tilde(2)Pi and (B)over-tilde(2)Pi-(X)over-tilde(2)Pi transitions of NCO [J] . Elliott NL, Fitzpatrick JAJ, Western CM The Journal of Chemical Physics . 2008,第16期

机译：（A）波浪线（2）Sigma（+）-（X）波浪线（2）Pi和（B）波浪线（2）Pi-（X）波浪线（2）的亚多普勒光谱NCO的Pi过渡
4. Frequency domain analysis of /spl Pi//spl Delta//spl Sigma/ ADC and its application to combining subband decomposition and /spl Pi//spl Delta//spl Sigma/ ADC [C] . Shyang Kye Kong, Ku, W.H. . 1996

机译：/ spl Pi // spl Delta // spl Sigma / ADC的频域分析及其在结合子带分解和/ spl Pi // spl Delta // spl Sigma / ADC的应用
5. Electronic Spectroscopy of Metal Nitrides: Analysis of the A2Sigma- -- X 2pi1/2 of Platinum Nitride, and the Perturbation Analysis of the (0,0) Band of the A2pi -- X2Sigma+ Transition of Zirconium Nitride. [D] . Womack, Kaitlin A. 2014

机译：金属氮化物的电子光谱：氮化铂的A2Sigma--X 2pi1 / 2分析，以及氮化锆的A2pi-X2Sigma +过渡态（0,0）带的扰动分析。
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7. Cavity ringdown spectrum of the forbidden (A)over-tilde(2)E('')←(X)over-tilde(2)A(2)(') transition of NO_3: Evidence for static Jahn-Teller distortion in the (A)over-tilde state [O] . Deev Andrei, Sommar Jonas, Okumura Mitchio 2005

机译：NO_3的禁止（A）谱线（2）E（''）←（X）谱线（2）A（2）（'）跃迁的腔衰荡谱：静态Jahn-Teller畸变的证据（A）超潮状态

COUPLED CLUSTER CALCULATIONS FOR LINEAR C-8(-)(X)OVER-TILDE(2)PI(G) AND (C)OVER-TILDE(2)PI(U)) AND C-8(X)OVER-TILDE (3)SIGMA(-)(G))

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