TammieR.Nelson,SebastianFernandez-Alberti&SergeiTretiakModelingexcited-statemoleculardynamicsbeyondtheBorn–OppenheimerregimeNatureComputationalScience20222,689–692...

如题，希望能有声子计算方面的高人帮我解决...StaticdielectrictensorandBornchargesthatareneededforLO-TOsplittingarealsoneedsupercellcalculation.#PHON_DIELECTRIC=PHON_BORN_CHARGES=

7theditionFebruary6,2020https://www.amazon.com/Principles-Optics-Anniversary-Max-Born/dp/1108477437/ref=sr_1_2?crid=681MFUOOJTSC&dib=eyJ2IjoiMSJ9.HtDXfDGR-2jsLLZ7...

doi:10.1136/archdischild-2023-326355TetsuyaIsayamaSurvivalanduniqueclinicalpracticesofextremelypreterminfantsbornat22-23weeks\'gestationinJapan:...

MTurningJunkintoUs:HowGenesAreBornAmericanScientist2021109(3),174+10.1511/2021.109.3.174https://www.americanscientist.org/article/turning-junk-into-us-how-genes-are-born其它...

GáborNáfrádi*andBálintNáfrádiCommenton“Solid-StateNeutronDetectionBasedonMethylammoniumLeadBromidePerovskiteSingleCrystals”ACSAppl.202214,25,28405–28407...

通过born近似计算的圆盘图案的反射率和单个圆盘的有限元模拟（本文讨论的数值模拟是基于有限元方法(fem)的软件jcmsuite）。测量圆盘涂层样品和调整平板的反射率arc(50nm厚度的ito)的圆盘...

ShujiaHuang,SiyangLiu,MingxiHuang,Jian-RongHe,ChengruiWang,TianyiWang,XiaotianFeng,YashuKuang,JinhuaLu,YuqinGu,XiaoyanXia,ShanshanLin,BorninGuangzhouCohortStudy(BIGCS)Group,...

各位大佬，本人在使用lammps模拟混合熔盐体系时对势函数系数有疑问，在有的文献中Born-Mayer-Huggins势的描述为：V（rij）=qiqjrij^-1-CiCjrij^-6+f(Bi+Bj)·exp-C·（r^-6）+D·（r^-8）此...

StephenC.Born,Chelsea.E.RContinuous,on-demandgenerationandseparationofdiphenylphosphorylazideTetrahedron2018volume74，Issue25,3137-3142dio.org/10.1016/j.tet.2018.01.026...

这个发射源收集器的原理与Born&Wolf的准单色源的定义相符。在平面F上，每个波长都由单独产生由耦合生成的干涉图的发射源组成。有意的，FRED集合了不相干的相干波和不同波长。这样，显示在F...

结合线性响应理论，可以获得声子性质，弹性常数，介电张量，Born有效电荷，压电张量等。在后续版本中，将结合用户反馈，不断优化并引入新功能。DS-PAW和VASP的区别：1、DS-PAW有官方支持后...

INFORMATION:CalculationofBorneffectivechargesandIRintensitiesisnotmeaningfulformetallic(partialoccupancy)systems.ParameterCALCULATE_BORN_CHARGESchangedto.FALSE.?Perturbation1...

Born,M.andvonKarmanUberSchwingungenimRaumgitternPhysikalisheZeitschrift191213，297-309

áborNárai,PálSohár,AntalCsámpai,andBélaZsadon*SynthesisofaNewδ-LactoneBridgedApovincamineDerivativeHeterocycles1998151-15410.3987/COM-97-7983

INFORMATION:CalculationofBorneffectivechargesandIRintensitiesisnotmeaningfulformetallic(partialoccupancy)systems.ParameterCALCULATE_BORN_CHARGESchangedto.FALSE.?INFORMATION:...

请问下各位老师，Born有效电荷张量代表着原子在位移下的整体的极化强度，请问下原子的位移是笛卡尔坐标系是沿着X-Y-Z方向还是沿着晶格的方向呢，极化是沿着X-Y-Z方向吧

006excited_state_scissors:0.000000000000000e+000calculate_born_charges:trueborn_charge_sum_rule:truebs_max_iter:200efield_max_cycles:500calculate_raman:trueraman_range_low:0....

参考了一篇文章她计算出的结果为11.02，但是我始终算不出来这个数值，体系的体积为372.221，这个到底是怎么算的呀

求助一篇外文文献M.Born,E.WolfPrinciplesofopticsCambridge:CambridgeUniversityPress2013Seventh(expanded)edition全书PDF.

JunJieHan123,FangMingLu4,LiBao13,HanYingWang4,BaoSongChen13,ErWeiLi13,ZhengDiWang5,LiPingXie5,ChangBinGuo5,YanFenXue2,YanHeMa6,HongWeiLiu78...

想问下vasp算不出结果是怎么回事，OUTCAR中没有ionic和electricdipolemoment

想问下算出born有效电荷后计算极化的具体步骤，求算过的大佬指教

想问一下大佬怎么处理born有效电荷，

S.Friesecke,K.Tr?ger,G.A.Schittek,Z....M.Schott,J.T.Kielstein,A.Meier-Hellmann,F.Born,U.Schumacher,M.Singer,J.Kellum&F.M.BrunkhorstInternationalregistryontheuseoftheCytoSorb?...