نتایج جستجو برای: ab initio calculations

تعداد نتایج: 147665  

Journal: :Monatshefte für Chemie - Chemical Monthly 2007

Journal: :Journal of Nuclear Fuel Cycle and Environment 2001

Journal: :Journal of the Physical Society of Japan 2004

Journal: :Physical Review A 2021

We present high-accuracy relativistic investigations of the spectrum Lr, element 103, prompted by planned optical spectroscopy experiments on this rare and short-lived atom. Reliable predictions transition lines are important for planning success these challenging measurements. The coupled cluster approach was used to calculate energies lowest excited states, while combination configuration-int...

2003
YINGBIN GE JOHN D. HEAD

Previously we searched for the ab initio global minima of several SixHy clusters by a genetic algorithm in which we used the AM1 semiempirical method to facilitate a rapid energy calculation for the many different cluster geometries explored. However, we found that the AM1 energy ranking significantly differs from the ab initio energy ranking. To better guarantee locating the ab initio global m...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید