SAPTΒΆ

Performs symmetry adapted perturbation theory (SAPT) analysis to quantitatively analyze noncovalent interactions.

  • CURRENT ENERGY
  • SAPT ALPHA
  • SAPT CT ENERGY
  • SAPT DISP ENERGY
  • SAPT DISP2(CCD) ENERGY
  • SAPT DISP20 ENERGY
  • SAPT DISP21 ENERGY
  • SAPT DISP22(S)(CCD) ENERGY
  • SAPT DISP22(SDQ) ENERGY
  • SAPT DISP22(T) ENERGY
  • SAPT DISP22(T)(CCD) ENERGY
  • SAPT DISP30 ENERGY
  • SAPT ELST ENERGY
  • SAPT ELST10,R ENERGY
  • SAPT ELST12,R ENERGY
  • SAPT ELST13,R ENERGY
  • SAPT ENERGY
  • SAPT EST.DISP22(T) ENERGY
  • SAPT EST.DISP22(T)(CCD) ENERGY
  • SAPT EXCH ENERGY
  • SAPT EXCH-DISP20 ENERGY
  • SAPT EXCH-DISP30 ENERGY
  • SAPT EXCH-IND-DISP30 ENERGY
  • SAPT EXCH-IND20,R ENERGY
  • SAPT EXCH-IND20,U ENERGY
  • SAPT EXCH-IND22 ENERGY
  • SAPT EXCH-IND30,R ENERGY
  • SAPT EXCH10 ENERGY
  • SAPT EXCH10(S^2) ENERGY
  • SAPT EXCH11(S^2) ENERGY
  • SAPT EXCH12(S^2) ENERGY
  • SAPT HF TOTAL ENERGY
  • SAPT IND ENERGY
  • SAPT IND-DISP30 ENERGY
  • SAPT IND20,R ENERGY
  • SAPT IND20,U ENERGY
  • SAPT IND22 ENERGY
  • SAPT IND30,R ENERGY
  • SAPT MP2 CORRELATION ENERGY
  • SAPT SAME-SPIN DISP20 ENERGY
  • SAPT SAME-SPIN EXCH-DISP20 ENERGY
  • SAPT TOTAL ENERGY
  • SAPT0 DISP ENERGY
  • SAPT0 ELST ENERGY
  • SAPT0 EXCH ENERGY
  • SAPT0 IND ENERGY
  • SAPT0 TOTAL ENERGY
  • SAPT2 DISP ENERGY
  • SAPT2 ELST ENERGY
  • SAPT2 EXCH ENERGY
  • SAPT2 IND ENERGY
  • SAPT2 TOTAL ENERGY
  • SAPT2+ DISP ENERGY
  • SAPT2+ ELST ENERGY
  • SAPT2+ EXCH ENERGY
  • SAPT2+ IND ENERGY
  • SAPT2+ TOTAL ENERGY
  • SAPT2+(3) DISP ENERGY
  • SAPT2+(3) ELST ENERGY
  • SAPT2+(3) EXCH ENERGY
  • SAPT2+(3) IND ENERGY
  • SAPT2+(3) TOTAL ENERGY
  • SAPT2+(3)(CCD) DISP ENERGY
  • SAPT2+(3)(CCD) ELST ENERGY
  • SAPT2+(3)(CCD) EXCH ENERGY
  • SAPT2+(3)(CCD) IND ENERGY
  • SAPT2+(3)(CCD) TOTAL ENERGY
  • SAPT2+(3)(CCD)DMP2 DISP ENERGY
  • SAPT2+(3)(CCD)DMP2 ELST ENERGY
  • SAPT2+(3)(CCD)DMP2 EXCH ENERGY
  • SAPT2+(3)(CCD)DMP2 IND ENERGY
  • SAPT2+(3)(CCD)DMP2 TOTAL ENERGY
  • SAPT2+(3)DMP2 DISP ENERGY
  • SAPT2+(3)DMP2 ELST ENERGY
  • SAPT2+(3)DMP2 EXCH ENERGY
  • SAPT2+(3)DMP2 IND ENERGY
  • SAPT2+(3)DMP2 TOTAL ENERGY
  • SAPT2+(CCD) DISP ENERGY
  • SAPT2+(CCD) ELST ENERGY
  • SAPT2+(CCD) EXCH ENERGY
  • SAPT2+(CCD) IND ENERGY
  • SAPT2+(CCD) TOTAL ENERGY
  • SAPT2+(CCD)DMP2 DISP ENERGY
  • SAPT2+(CCD)DMP2 ELST ENERGY
  • SAPT2+(CCD)DMP2 EXCH ENERGY
  • SAPT2+(CCD)DMP2 IND ENERGY
  • SAPT2+(CCD)DMP2 TOTAL ENERGY
  • SAPT2+3 DISP ENERGY
  • SAPT2+3 ELST ENERGY
  • SAPT2+3 EXCH ENERGY
  • SAPT2+3 IND ENERGY
  • SAPT2+3 TOTAL ENERGY
  • SAPT2+3(CCD) DISP ENERGY
  • SAPT2+3(CCD) ELST ENERGY
  • SAPT2+3(CCD) EXCH ENERGY
  • SAPT2+3(CCD) IND ENERGY
  • SAPT2+3(CCD) TOTAL ENERGY
  • SAPT2+3(CCD)DMP2 DISP ENERGY
  • SAPT2+3(CCD)DMP2 ELST ENERGY
  • SAPT2+3(CCD)DMP2 EXCH ENERGY
  • SAPT2+3(CCD)DMP2 IND ENERGY
  • SAPT2+3(CCD)DMP2 TOTAL ENERGY
  • SAPT2+3DMP2 DISP ENERGY
  • SAPT2+3DMP2 ELST ENERGY
  • SAPT2+3DMP2 EXCH ENERGY
  • SAPT2+3DMP2 IND ENERGY
  • SAPT2+3DMP2 TOTAL ENERGY
  • SAPT2+DMP2 DISP ENERGY
  • SAPT2+DMP2 ELST ENERGY
  • SAPT2+DMP2 EXCH ENERGY
  • SAPT2+DMP2 IND ENERGY
  • SAPT2+DMP2 TOTAL ENERGY
  • SSAPT0 DISP ENERGY
  • SSAPT0 ELST ENERGY
  • SSAPT0 EXCH ENERGY
  • SSAPT0 IND ENERGY
  • SSAPT0 TOTAL ENERGY