发明名称 |
Method and apparatus for evaluating molecular structures using relativistic integral equations |
摘要 |
An improved method of evaluating molecular structures using relativistic integral equations. The method transforms Cartesian non-relativistic integrals into relativistic integrals using a two-step process. A first step transforms two indecises of the non-relativistic integral equations into a plurality of intermediate equations. A second step transforms the plurality of intermediate set of integrals into relativistic integral. The relativistic integrals are then used to evaluate the relativistic behavior of the molecular structure. |
申请公布号 |
US5777889(A) |
申请公布日期 |
1998.07.07 |
申请号 |
US19940310460 |
申请日期 |
1994.09.22 |
申请人 |
INTERNATIONAL BUSINESS MACHINES CORPORATION |
发明人 |
MOHANTY, AJAYA KUMAR;PANIGRAHY, SURYA NARAYAN |
分类号 |
G06F17/50;(IPC1-7):G06F19/00 |
主分类号 |
G06F17/50 |
代理机构 |
|
代理人 |
|
主权项 |
|
地址 |
|