论文标题
Sigma基集：分子计算的GTO基集的新系列
Sigma basis sets: a new family of GTO basis sets for molecular calculations
论文作者
论文摘要
提出并初步测试了一个名为Sigma基础集的高斯型基套基集的新家族。报告了H，C，N，O和P的Sigma基集，并在某些原子和分子计算中测试其性能。
A new family of Gaussian-type basis sets named sigma basis sets is presented and preliminarily tested. Sigma basis sets for H, C, N, O and P are reported and their performance is tested in some atomic and molecular calculations.
