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Fixed-node Quantum Monte Carlo: A Novel Approach

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Chinese Chemical Letters 2002年第1期13卷 55-58页

作者： Hong Xin huaNG zhen hua zhao Department of Chemistry Hunan Normal UniversityChangsha 410081

In this paper, a novel method for fixed-node quantum Monte Carlo is given. We have derived an expansion of the eigenvalue of the energy for a system and proved that the value of the energy calculated using the traditional fixed-node quantum Monte Carlo method is only the zero order approximation of the eigenvalue of the energy. But when using our novel method, in the case of only increasing less computing amounts (<1%), we can obtain conveniently the first order approximation, second order approximation, and so on. We have calculated the values of the zero, first and second approximation (0, 1 and 2) of the energies of 11A1 state of CH2, 1Ag (C4h, acet) state of C8 and the ground-state of H2O using this novel method. The results indicate that for 11A1 state of CH2, 1Ag (C4h, acet) state of C8 and the ground-state of H2O it needs only the second order approximation to obtain electronic correlation energy with over 97%. This demonstrates that this novel method is very excellent in both the computing accuracy and the amount of calculation required.

关键词： Fixed-node quantum Monte Carlo method electronic correlation energy.

Friedberg-Lee neutrino model with μ–τ reflection symmetry

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Communications in Theoretical Physics 2022年第5期74卷 70-74页

作者： Hui-Chao Bao Xin-Yu zhao zhen-hua zhao Department of Physics Liaoning Normal UniversityDalian 116029 China

In this letter,we make an attempt to embed theμ–τreflection symmetry(which predicts maximal atmospherical mixing angle and Dirac CP phase)in the Friedberg-Lee neutrino model(which employs a translational flavor sym... 详细信息

关键词： neutrino masses neutrino mixing Friedberg-Lee symmetry mu-tau reflection symmetry

Hiding neutrinoless double beta decay in the minimal seesaw model with the TM1 orμ-τreflection symmetry

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Communications in Theoretical Physics 2022年第11期74卷 98-105页

作者： zhen-hua zhao Yan-Bin Sun Ying-Ke Lei Department of Physics Liaoning Normal UniversityDalian 116029China Institute of Physics Chinese Academy of SciencesBeijing 100190China

In Asaka et al(2021 ***.D 103,015014),Asaka,Ishida and Tanaka put forward an interesting possibility that the neutrinoless double beta decay can be hidden in the minimal seesaw model with the two right-handed neutrinos having a hierarchical mass structure:the lighter one is lighter enough than the typical Fermi-momentum scale of nuclei while the heavier one is sufficiently heavy to decouple from the neutrinoless double beta ***,in the basis where the mass matrices of the charged leptons and right-handed neutrinos are diagonal,for some particular texture of the Dirac neutrino mass matrix M_(D),the neutrinoless double beta decay can be *** this paper,on top of this specified model,we study the interesting scenario that M_(D)further obeys the TM1 symmetry orμ-τreflection symmetry which are well motivated by the experimental results for the neutrino mixing parameters.

关键词： neutrino mass neutrinoless double beta decay minimal seesaw model

Impacts of channel morphology on residues and ecological risks of polychlorinated biphenyls in water and sediment in Chahe River

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Water Science and Engineering 2016年第4期9卷 300-311页

作者： zhen-hua zhao Jie Sun Xiao-kun Fang Li-ling Xia Javid Hussain Department of Plant Soil and Microbial Sciences Michigan State University East Lansing MI 48824 USA Key Laboratory of Integrated Regulation and Resource Development on Shallow Lakes of Ministry of Education Hohai University Nanjing 210098 China College of Environment Hohai University Nanjing 210098 China Nanjing Institute of Industry Technology Nanjing 210016 China

The impacts of channel morphology on the residues and ecological risks of 14 polychlorinated biphenyl(PCB) congeners in water and sediment were investigated in summer(July) and autumn(September) in the Chahe River,in Nanjing,*** residual concentrations of trichlorobiphenyls(tri-CBs,PCB 18) and tetra-CBs(PCB 52) in water were significantly higher than those of penta-CBs to deca-CBs,and the average residual concentration of ∑PCBs(sum of 14 PCB congeners) in summer was about six times higher than in ***,the residues in sediment did not change *** analysis(RDA) indicated that channel morphology and the corresponding environmental indices had significant impacts on PCB residues and their composition profiles in water and *** overflow weir and lake-type watercourse may remarkably reduce the residual concentration and ecological risks of PCBs in *** highest reduction percentages of the residual concentration and ecological risks of ∑PCBs induced by an overflow weir were 78%and 67%,respectively,and those induced by a lake-type watercourse were 36%and 70%,*** watercourses with different channel morphologies were ranked by residual ∑PCBs concentrations in the following descending order:the natural ecological watercourse,vertical concrete watercourse,and vegetation-type riprap ***,they were ranked by residual ∑PCBs concentrations in sediment in the following descending order:the vertical concrete watercourse,vegetation-type riprap watercourse,and natural ecological watercourse.

关键词： Channel morphology RDA Ecological risk Toxic equivalent concentration

Rare monolocular intrahepatic biliary cystadenoma: A case report

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World Journal of Clinical Cases 2021年第26期9卷 7886-7892页

作者： Chen-Hao Che zhen-hua zhao Hui-Ming Song Yuan-Yuan zheng The First Clinical Medical School Southern Medical UniversityGuangzhou 510515Guangdong ProvinceChina Department of Radiology Shaoxing People's Hospital(Shaoxing HospitalZhejiang University School of Medicine)Shaoxing 312000Zhejiang ProvinceChina Department of Ultrasonography Shaoxing People's Hospital(Shaoxing HospitalZhejiang University School of Medicine)Shaoxing 312000Zhejiang ProvinceChina

BACKGROUND Intrahepatic biliary cystadenoma(IBC)is a rare benign hepatic tumor that is often misdiagnosed as other hepatic cystic ***,imaging examinations are required for preoperative ***-enhanced ultrasound(CEUS)has gained increasing popularity as an emerging imaging modality and it is considered the primary method for screening IBC because of its specificity of *** describe an unusual case of monolocular IBC and emphasize the performance of *** SUMMARY A 45-year-old man complained of epigastric pain lasting 1 *** had no medical history of hepatitis,liver cirrhosis or *** examination revealed a mass of approximately 6 cm in size in the upper abdomen below the subxiphoid *** marker tests found elevated CA19-9 levels(119.3 U/mL),but other laboratory tests were *** and computerized tomography revealed a round thick-walled mass measuring 83 mm×68 mm located in the left lateral lobe of the liver that lacked internal septations and manifested as a monolocular cystic *** demonstrated that in the arterial phase,the anechoic area manifested as a peripheral ring with homogeneous *** central part presented with no *** the portal phase,the enhanced portion began to subside but was still above the surrounding liver *** patient underwent left partial liver lobectomy and recovered well without tumor recurrence or ***,the results of pathological examination confirmed *** A few IBC cases present with monolocular characteristics,and the lack of intracystic septa in imaging performance cannot exclude IBC.

关键词： Intrahepatic biliary cystadenoma Monolocular Diagnosis Imaging performance Contrast-enhanced ultrasound Case report

Admission white blood cell count predicts short-term clinical outcomes in patients with uncomplicated Stanford type B acute aortic dissection

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Journal of Geriatric Cardiology 2017年第1期14卷 49-56页

作者： zhao-Ran CHEN Bi huaNG Hai-Song LU zhen-hua zhao Ru-Tai HUI Yan-Min YANG Xiao-Han FAN State Key Laboratory of Cardiovascular Disease Department of Cardiology Fuwai Hospital National Center for Cardiovascular Diseases Chinese Academy of Medical Sciences and Peking Union Medical College Beijing China Stale Key Laboratory of Cardiovascular Disease Department of Cardiovascular Anesthesiology Fuwai Hospital National Center for Cardiovascular Diseases Chinese Academy of Medical Sciences and Peking Union Medical College Beijing China State Key Laboratory of Cardiovascular Disease Department of Cardiovascular Surgery Fuwai Hospital National Center for Cardiovascular Diseases Chinese Academy of Medical Sciences and Peking Union Medical College Beijing China

Objectives Inflammation has been shown to be related with acute aortic dissection （AAD）. The present study aimed to evaluate the association of white blood cell counts （WI3Cc） on admission with both in-hospital and long-term all-cause mortality in patients with uncom- plicated Stanford type B AAD. Methods From 2008 to 2010, a total of 377 consecutive patients with uncomplicated type B AAD were enrolled and then followed up. Clinical data and WBCc on admission were collected. The primary end points were in-hospital death and long-term all-cause death. Results The in-hospital death rate was 4.2%, and the long-term all-cause mortality rate was 6.9% during a median follow-up of 18.9 months. WBCc on admission was identified as a risk factor for in-hospital death by univariate Cox regression analysis as both a continuous variable and a categorical variable using a cut off of 11.0 × 109 cell/L （all P 〈 0.05）. After adjusting for age, sex and other risk factors, elevated admission WBCc was still a significant predictor for in-hospital death as both a continuous variable [hazard ratio （HR）： 1.052, 95% CI： 1.024-1.336, P = 0.002] and a categorical variable using a cut off of 11.0 × 109 cell/L （HR： 2.056, 95% CI： 1.673-5.253, P = 0.034）. No relationship was observed between WBCc on admission and long-term all-cause death. Conclusions Our results indicate that elevated WBCc upon admission might be used as a predictor for increased risk of in-hospital death in uncomplicated type B AAD. There might be no predictive value of WBCc for the long-term survival of type B AAD.

关键词： Acute aortic dissection In-hospital mortality Stanford type B Survival White blood cell

Localization of five-dimensional Elko spinors on dS/AdS thick branes

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Chinese Physics C 2022年第2期46卷 1-12页

作者： Xiang-Nan Zhou Yun-Zhi Du Xin-Yuan Ma zhen-hua zhao College of Physics and Information Engineering.Shanxi Normal University Linfen 04100China Institute of Theoretical Physics Datong UniversityDatong 037009China Department of Applied Physics Shandong University of Science and TechnologyQingdao 266590China

Owing to the special structure of a five-dimensional Elko spinor,its localization on a brane with codimension one becomes completely different from that of a Dirac *** introducing the coupling between the Elko spinor and the scalar field that can generate the brane,we have two types of localization mechanism for the five-dimensional Elko spinor zero mode on a *** is the Yukawa-type coupling,and the other is the non-minimal *** this study,we investigate the localization of the Elko zero mode on de Sitter and Anti-de Sitter thick branes with the two localization mechanisms,*** results show that both the mechanisms can achieve *** forms of the scalar coupling function in both localization mechanisms have similar properties,and they play a similar role in localization.

关键词： localization Elko spinor de Sitter and Anti-de Sitter thick brane Yukawa-type coupling non-minimal coupling

A Conductive Dinuclear Cuprous Complex Mimicking the Active Edge Site of the Copper(100)/(111)Plane for Selective Electroreduction of CO_(2) to C_(2)H_(4) at Industrial Current Density

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Research 2023年第2期2022卷 343-349页

作者： Jin-Meng Heng Hao-Lin Zhu zhen-hua zhao Da-Shuai huang Jun-Yi Li Pei-Qin Liao Xiao-Ming Chen MOE Key Laboratory of Bioinorganic and Synthetic Chemistry School of ChemistrySun Yat-Sen UniversityGuangzhou 510275China

Inorganic solids are a kind of important catalysts,and their activities usually come from sparse active sites,which are structurally different from inactive ***,the rational optimization of activity depends on studying these active *** is a widely used catalyst and is expected to be a promising catalyst for the electroreduction of CO_(2) to C_(2)H_(4).

关键词： Copper catalyst rational

Atomically Dispersed Dual‑Metal Sites Showing Unique Reactivity and Dynamism for Electrocatalysis

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Nano-Micro Letters 2023年第8期15卷 192-204页

作者： Jun‑Xi Wu Wen‑Xing Chen Chun‑Ting He Kai zheng Lin‑Ling Zhuo zhen‑hua zhao Jie‑Peng Zhang MOE Key Laboratory of Bioinorganic and Synthetic Chemistry School of ChemistrySun Yat-Sen UniversityGuangzhou 510275People’s Republic of China Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education College of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang 330022People’s Republic of China Energy&Catalysis Center School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081People’s Republic of China

The real structure and in situ evolution of catalysts under working conditions are of paramount importance,especially for bifunctional ***,we report asymmetric structural evolution and dynamic hydrogen-bonding promotion mechanism of an atomically dispersed *** of Co/Ni-doped MAF-4/ZIF-8 yielded nitrogen-doped porous carbons functionalized by atomically dispersed Co–Ni dual-metal sites with an unprecedented N8V4 structure,which can serve as an efficient bifunctional electrocatalyst for overall water *** importantly,the electrocatalyst showed remarkable activation behavior due to the in situ oxidation of the carbon substrate to form C–OH *** functional theory calculations suggested that the flexible C–OH groups can form reversible hydrogen bonds with the oxygen evolution reaction intermediates,giving a bridge between elementary reactions to break the conventional scaling relationship.

关键词： Metal-organic frameworks Atomically dispersed catalyst Hydrogen bond Overall water splitting