Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Yun-guang Zhang"'
Publikováno v:
Chinese Physics B. 31:053101
Potential energy curves of the X1Σ+ and A1Π states of the AlF molecule are studied through the combination of the multi-reference configuration interaction (MRCI) approach and Davidson corrections (MRCI+Q). The AWCV5Z basis set is employed in the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5147d4be917ec5c49ba839292946a71
https://doi.org/10.1088/1674-1056/ac3648
https://doi.org/10.1088/1674-1056/ac3648
Publikováno v:
Journal of Molecular Structure. 1165:318-325
The potential energy curves and dipole moments for the lowest seven Λ − S states correlating to three dissociation limits Si + ( P 2 u ) + H ( S g 2 ) , Si + ( P g 4 ) + H ( S g 2 ) , and Si ( D g 1 ) + H + ( S g 1 ) of SiH+ cation are computed us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43e48b47e885eb08c3605ebff3e5b3f7
https://doi.org/10.1016/j.molstruc.2018.03.111
https://doi.org/10.1016/j.molstruc.2018.03.111
Publikováno v:
Computational and Theoretical Chemistry. 1134:8-14
Potential energy curves (PECs) of six electronic states ( X 2 Π , a 4 Σ - , A 2 Δ , B 2 Σ - , C 2 Σ + , and D 2 Σ + ) are calculated based on multi-reference configuration interaction plus Davidson corrections (MRCI + Q), and the spin–orbit c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d58618f6ebcd0bdd2525d3f76d482bb
https://doi.org/10.1016/j.comptc.2018.04.014
https://doi.org/10.1016/j.comptc.2018.04.014
Publikováno v:
International Journal of Theoretical Physics. 57:506-515
Recently, Huang and Zhao (Int. J. Theor. Phys. 56, 678, 2017) proposed a new scheme for controlled remote state preparation of an arbitrary two-qubit state by using two sets of three-qubit GHZ states as the quantum channel. In the scheme, Alice and B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e3aa3f7231bcc4c9512777f06d68c7c
https://doi.org/10.1007/s10773-017-3582-5
https://doi.org/10.1007/s10773-017-3582-5
Publikováno v:
Phys. Chem. Chem. Phys.. 19:27360-27367
The schemes for laser cooling of the OH- anion are proposed using an ab initio method. Scalar relativistic corrections are considered using the Douglas-Kroll Hamilton. Spin-orbit coupling (SOC) effects are taken into account at the MRCI+Q level. SOC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9bb7e5ebebcccfd2f63dc994e08f808
https://doi.org/10.1039/c7cp04393g
https://doi.org/10.1039/c7cp04393g
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(40)
The schemes for laser cooling of the OH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::66ee344c9dbee2184f8832a9a7d5e596
https://pubmed.ncbi.nlm.nih.gov/28971186
https://pubmed.ncbi.nlm.nih.gov/28971186
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(36)
Herein, the spin-forbidden cooling of a gallium hydride molecule is investigated using ab initio quantum chemistry. The cooling transition and the corresponding potential energy curves including , a3Π0−, a3Π0+, a3Π1, a3Π2, A1Π1, , 13Σ+1, , ,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a8c91c6464a2fff2f2f90f50e82796d
https://pubmed.ncbi.nlm.nih.gov/28857102
https://pubmed.ncbi.nlm.nih.gov/28857102
Publikováno v:
International Journal of Theoretical Physics. 54:2236-2239
Some simple structure of maximally four-qubit state is presented. Using stochastic local operations and classical communication (SLOCC) invariants, it is can be shown those simple structure of maximally four-qubit state is SLOCC equivalent to four-qu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4240aa858604204b2342de19d717e452
https://doi.org/10.1007/s10773-014-2440-y
https://doi.org/10.1007/s10773-014-2440-y
Publikováno v:
Communications in Theoretical Physics. 57:1048-1052
The equilibrium geometries, potential energy curves, spectroscopic dissociation energies of the ground and low-lying electronic states of He2, He+2 and He++2 are calculated using symmetry adapted cluster/symmetry adapted cluster-configuration interac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e9880b8d2a360928300b494562b2f7ca
https://doi.org/10.1088/0253-6102/57/6/18
https://doi.org/10.1088/0253-6102/57/6/18
Publikováno v:
Chinese Physics B. 27:103101
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::702fb956c5bfa358767bcd7bf07cbbc2
https://doi.org/10.1088/1674-1056/27/10/103101
https://doi.org/10.1088/1674-1056/27/10/103101