On the use of the Laplace transform in local correlation methods.
On the use of the Laplace transform in local correlation methods.
复制标题
关于拉普拉斯变换在局部相关方法中的使用。
DOI：
10.1039/b802993h
复制
发表时间：
2008
期刊：
影响因子：
--
通讯作者：
M. Schütz
中科院分区：
文献类型：
--
作者：
D. Kats;D. Usvyat;M. Schütz
探讨了在具有先验限制波函数参数集的局部相关方法中Almlöf的拉普拉斯变换变换的适用性。介绍了一种新的基于拉普拉斯变换的局部MP2方法，阐明了它与基于Pulay变换的局部MP2方法的关系，并与后者进行了精度和效率的比较。
The applicability of the Laplace transform ansatz of Almlöf in the context of local correlation methods with a priori restricted sets of wavefunction parameters is explored. A new local MP2 method based on the Laplace transform ansatz is described, its relation to the local MP2 method based on the Pulay ansatz is elucidated, and its accuracy and efficiency are compared to the latter.