화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Para-ortho isomerization of H-2(+). Non-Born-Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions
Kirnosov N, Sharkey KL, Adamowicz L
Chemical Physics Letters, 621, 134, 2015
2 Ortho-para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T-2) from non-Born-Oppenheimer variational calculations performed with explicitly correlated all-particle Gaussian functions
Kirnosov N, Sharkey KL, Adamowicz L
Chemical Physics Letters, 640, 61, 2015
3 Singlet-triplet energy splitting between D-1 and D-3 (1s(2) 2s nd), n=3, 4, 5, and 6, Rydberg states of the beryllium atom (Be-9) calculated with all-electron explicitly correlated Gaussian functions
Sharkey KL, Bubin S, Adamowicz L
Chemical Physics Letters, 616, 254, 2014
4 Born-Oppenheimer and Non-Born-Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians
Bubin S, Pavanelo M, Tung WC, Sharkey KL, Adamowicz L
Chemical Reviews, 113(1), 36, 2013