Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. tests on H+H2 and D+H2

✍ Scribed by Gregory A. Parker; Russell T. Pack; Billy J. Archer; Robert B. Walker

• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 800 KB
• Volume: 137
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(87)80630-9

✦ Synopsis

Accurate CC calculations of 3D quantum reactive scattering using hyperspherical (APH) coordinates are reported for both zero and non-zero total angular momentum J and for both symmetric (H + HZ) and unsymmetric (D + HZ) mass combinations. Accurate 3D reactive scattering calculations are now possible for heavier systems and higher energies than ever before.