Journal of Chemical Physics, Vol.101, No.10, 8494-8507, 1994
Calculation of Triatomic Vibrational Eigenstates - Product or Contracted Basis-Sets, Lanczos or Conventional Eigensolvers - What Is the Most Efficient Combination
Keywords:DISCRETE VARIABLE REPRESENTATION;KINETIC-ENERGY OPERATORS;VARIATIONAL METHOD;ROVIBRATIONAL STATES;4-ATOM MOLECULES;WAVE-FUNCTIONS;GROUND-STATE;HCN;H-3+;SPECTRUM