Rotation-vibration energy levels from recent potential energy surfaces forthe ground electronic states of NO2 and H2O

Using recently published potential energy surfaces, rovibrational energy le vels are computed for the ground electronic states of H2O and NO2, using th ree-dimensional discrete variable representation (DVR) algorithms. Calculat ions are presented for H2O to demonstrate the accuracy of these algorithms. In the case of NO2, comparisons with previous calculations are made as a t est for the accuracy of the new potential energy surface. (C) 2000 John Wil ey & Sons, Inc.