We study the ground state and the low energy excited states of Ti. Each variational wave function is a product of a Jastrow correlation factor by a model function obtained within the parameterized optimized effective potential (POEP) framework by using a configuration mixing. Near degeneracy effects between the orbitals 4s and 4p, as well as excitations to the 3d orbital due to the strong competition between 4s and 3d orbitals in transition metal atoms are taken into account. All electron calculations have been carried out by using quantum Monte Carlo techniques, variational and diffusion.

中文翻译：

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QMC方法研究钛的低能谱

我们研究了Ti的基态和低能激发态。每个变分波函数都是Jastrow相关因子与模型函数的乘积，该模型函数是通过使用配置混合在参数化的优化有效电位（POEP）框架内获得的。考虑了轨道4s和4p之间的近简并效应以及过渡金属原子中4s和3d轨道之间的激烈竞争引起的对3d轨道的激发。所有电子计算都是通过使用量子蒙特卡洛技术，变分和扩散进行的。