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- Standing wave representations such as these are called atomic orbitals. 这种驻波示意图叫做原子轨道。
- Through a projection of the DM onto atomic orbitals and a subsequent O(N) orthogonalization, we obtain initial orthogonal localized orbitals. 通过与密度矩阵纯化方法或基于局域轨道的线性标度算法连用，它是极好的在自恰的密度泛函理论框架下计算前线轨道的能量及波函数的方法。
- The function (1s+) is a hybridized atomic orbital. 函数(1s+)是一个杂化的原子轨道。
- hybridization of atomic orbitals 原子轨道的杂化
- linear combination of atomic orbitals 原子轨函数的线性组合法
- Based on LCAO calculations, there are four atomic orbitals () per atom.We thus have eight Bloch orbitals in the two atoms in a unit cell.We have constructed the Hamiltonian matrix. 摘要:利用原子轨道线性叠加方法，选择一个单位细胞有两个原子，每各原子有四各轨道，所以我们有汉米尔顿矩阵。
- Then, the authors firstly put forward that the electron energy of which the electron is filled ahead is larger than that for the occupied atom orbital. 提出了一个电子进入内层轨道所需的能量必须大于其进入轨道后所具备的能量的观点。
- Keywords superheavy element;electronic configuration;atomic orbitals; 超重元素;电子组态;原子轨道;
- The atom bomb is of catholic concern. 原子弹受到普遍的关注。
- The spacecraft is in orbit around the moon. 该航天器在绕月球轨道运行。
- Atomic orbital electron density Self-charge, the charge kept by the atoms involved in the... 本人是新手,对MOPAC不太了解,想知道下面这几个怎么算出来,请大家帮忙!
- That cannot get up an atom of sympathy for them. 那并不能激发起人们对他们的丝毫同情。
- The ship was sunk by an atomic submarine. 这艘船是被一艘核潜艇击沉的。
- Scientists have unlocked the secret of the atom. 科学家已经揭开了原子的秘密。
- The space shuttle will orbit a weather satellite. 太空梭将把一个气象卫星送入运行轨道。
- The launch vehicle lifts the satellite into orbit. 太空火箭将人造卫星送入运行轨道。
- Our first atomic reactor was built in1958. 我们第一个原子反应堆建于1958年。
- Atomic orbital electron density Self-charge, the charge kept by the atoms involved in the bond Active charge, the charge not inv... 本人是新手,对MOPAC不太了解,想知道下面这几个怎么算出来,请大家帮忙!
- An atomic bomb can annihilate a city. 一枚原子弹能毁灭一个城市。
- Something of circular form; a circle or an orbit. 圆形物体圆形物体; 圆圈或环形轨道
